Structures by: Datta S.

Total: 57

C22H27N1O7

C22H27N1O7

Li, MeilingDatta, SwarupBarber, David M.Dixon, Darren J.

Organic letters (2012) 14, 24 6350-6353

a=8.8732(2)Å   b=9.6183(2)Å   c=25.3162(6)Å

α=90°   β=90°   γ=90°

Mn Zn Se2

MnSe2Zn

Gunshor, R. L.Kolodziejski, L. A.Otsuka, N.Datta, S.

Surface science (1986) 174, 1-3 522-533

a=5.8Å   b=5.8Å   c=5.8Å

α=90°   β=90°   γ=90°

C6H5O3S,C12H14N

C6H5O3S,C12H14N

Chakraborty, PoulamiDas, BikashPal, PulakDatta, SubhadeepBera, SourabhDastidar, Parthasarathi

Chemical communications (Cambridge, England) (2020) 56, 39 5251-5254

a=5.4468(3)Å   b=9.8135(6)Å   c=15.2598(10)Å

α=103.033(2)°   β=93.291(2)°   γ=97.938(3)°

C6H5O3S,C7H10N,0.5(H2O)

C6H5O3S,C7H10N,0.5(H2O)

Chakraborty, PoulamiDas, BikashPal, PulakDatta, SubhadeepBera, SourabhDastidar, Parthasarathi

Chemical communications (Cambridge, England) (2020) 56, 39 5251-5254

a=31.768(8)Å   b=5.5762(12)Å   c=15.750(3)Å

α=90°   β=108.619(3)°   γ=90°

C10H7O3S,C11H12N

C10H7O3S,C11H12N

Chakraborty, PoulamiDas, BikashPal, PulakDatta, SubhadeepBera, SourabhDastidar, Parthasarathi

Chemical communications (Cambridge, England) (2020) 56, 39 5251-5254

a=18.261(15)Å   b=7.799(6)Å   c=12.919(11)Å

α=90°   β=107.200(11)°   γ=90°

C10H7O3S,C8H12N

C10H7O3S,C8H12N

Chakraborty, PoulamiDas, BikashPal, PulakDatta, SubhadeepBera, SourabhDastidar, Parthasarathi

Chemical communications (Cambridge, England) (2020) 56, 39 5251-5254

a=5.8765(17)Å   b=7.649(2)Å   c=18.388(5)Å

α=92.938(4)°   β=94.963(4)°   γ=93.182(4)°

C22H14N2O5

C22H14N2O5

Aizawa, TakumiAratsu, KeisukeDatta, SougataMashimo, TakakiSeki, TomohiroKajitani, TakashiSilly, FabienYagai, Shiki

Chemical communications (Cambridge, England) (2020) 56, 31 4280-4283

a=12.79790(10)Å   b=5.74316(5)Å   c=22.89076(19)Å

α=90°   β=92.3207(7)°   γ=90°

C18H13ClN4OPdS

C18H13ClN4OPdS

Dutta, JayitaDatta, SayantiKumar Seth, DipravathBhattacharya, Samaresh

RSC Advances (2012) 2, 31 11751

a=15.5491(14)Å   b=7.6562(7)Å   c=15.7781(14)Å

α=90.00°   β=105.304(7)°   γ=90.00°

C17H13ClN4OPdS

C17H13ClN4OPdS

Dutta, JayitaDatta, SayantiKumar Seth, DipravathBhattacharya, Samaresh

RSC Advances (2012) 2, 31 11751

a=14.643(2)Å   b=7.9232(11)Å   c=15.771(2)Å

α=90.00°   β=107.518(10)°   γ=90.00°

C18H19N4OPdS

C18H19N4OPdS

Dutta, JayitaDatta, SayantiKumar Seth, DipravathBhattacharya, Samaresh

RSC Advances (2012) 2, 31 11751

a=27.9696(19)Å   b=35.857(3)Å   c=7.0330(5)Å

α=90.00°   β=90.00°   γ=90.00°

C67H57ClN5O3P3PdRu

C67H57ClN5O3P3PdRu

Datta, SayantiKumar Seth, DipravathHalder, SarmisthaSheldrick, William S.Mayer-Figge, HeikeDrew, Michael G. B.Bhattacharya, Samaresh

RSC Advances (2012) 2, 12 5254

a=10.2779(2)Å   b=13.7689(2)Å   c=22.0341(3)Å

α=99.3150(10)°   β=103.3020(10)°   γ=100.3930(10)°

C30H24N3O3PPd

C30H24N3O3PPd

Datta, SayantiKumar Seth, DipravathHalder, SarmisthaSheldrick, William S.Mayer-Figge, HeikeDrew, Michael G. B.Bhattacharya, Samaresh

RSC Advances (2012) 2, 12 5254

a=9.1000(18)Å   b=16.700(3)Å   c=18.400(4)Å

α=90.00°   β=100.39(3)°   γ=90.00°

C27H24N3O2PPd

C27H24N3O2PPd

Datta, SayantiKumar Seth, DipravathHalder, SarmisthaSheldrick, William S.Mayer-Figge, HeikeDrew, Michael G. B.Bhattacharya, Samaresh

RSC Advances (2012) 2, 12 5254

a=10.1264(9)Å   b=14.1165(12)Å   c=16.8322(12)Å

α=80.414(7)°   β=84.706(7)°   γ=78.503(7)°

C47H37Mn3N6O9,1.5(C5H5N)

C47H37Mn3N6O9,1.5(C5H5N)

Inglis, RossTaylor, Stephanie M.Jones, Leigh F.Papaefstathiou, Giannis S.Perlepes, Spyros P.Datta, SaitiHill, StephenWernsdorfer, WolfgangBrechin, Euan K.

Dalton Transactions (2009) 42 9157

a=10.3147(5)Å   b=15.4284(7)Å   c=16.1150(8)Å

α=106.695(3)°   β=101.405(3)°   γ=94.588(3)°

[Mn3O(EtSaO)3(AcO)(MeOH)5].EtSaOH

[Mn3O(EtSaO)3(AcO)(MeOH)5].EtSaOH

Inglis, RossTaylor, Stephanie M.Jones, Leigh F.Papaefstathiou, Giannis S.Perlepes, Spyros P.Datta, SaitiHill, StephenWernsdorfer, WolfgangBrechin, Euan K.

Dalton Transactions (2009) 42 9157

a=15.0333(7)Å   b=8.6770(4)Å   c=16.8357(8)Å

α=90°   β=99.936(3)°   γ=90°

C121H135Mn6N13O24

C121H135Mn6N13O24

Inglis, RossTaylor, Stephanie M.Jones, Leigh F.Papaefstathiou, Giannis S.Perlepes, Spyros P.Datta, SaitiHill, StephenWernsdorfer, WolfgangBrechin, Euan K.

Dalton Transactions (2009) 42 9157

a=31.6181(17)Å   b=15.4746(8)Å   c=27.5994(15)Å

α=90°   β=115.719(2)°   γ=90°

C42H42Cl1Mn3N6O11.(C4H10O)

C42H42Cl1Mn3N6O11.(C4H10O)

Inglis, RossTaylor, Stephanie M.Jones, Leigh F.Papaefstathiou, Giannis S.Perlepes, Spyros P.Datta, SaitiHill, StephenWernsdorfer, WolfgangBrechin, Euan K.

Dalton Transactions (2009) 42 9157

a=15.9022(10)Å   b=15.9022(10)Å   c=10.5328(8)Å

α=90°   β=90°   γ=120°

[(Mn3O)(C9O2NH9)3(C7O2H5)2(C6O3NH16)(H20)2]

[(Mn3O)(C9O2NH9)3(C7O2H5)2(C6O3NH16)(H20)2]

Inglis, RossTaylor, Stephanie M.Jones, Leigh F.Papaefstathiou, Giannis S.Perlepes, Spyros P.Datta, SaitiHill, StephenWernsdorfer, WolfgangBrechin, Euan K.

Dalton Transactions (2009) 42 9157

a=13.6577(3)Å   b=14.3628(3)Å   c=15.5107(3)Å

α=76.2850(10)°   β=86.2710(10)°   γ=73.3250(10)°

C45H48Cl1Mn3N6O11

C45H48Cl1Mn3N6O11

Inglis, RossTaylor, Stephanie M.Jones, Leigh F.Papaefstathiou, Giannis S.Perlepes, Spyros P.Datta, SaitiHill, StephenWernsdorfer, WolfgangBrechin, Euan K.

Dalton Transactions (2009) 42 9157

a=13.3429(2)Å   b=13.3429(2)Å   c=29.0999(8)Å

α=90°   β=90°   γ=120°

C48H54Cl1Mn3N6O11,0.5(CH4O),0.5(C4H10O)

C48H54Cl1Mn3N6O11,0.5(CH4O),0.5(C4H10O)

Inglis, RossTaylor, Stephanie M.Jones, Leigh F.Papaefstathiou, Giannis S.Perlepes, Spyros P.Datta, SaitiHill, StephenWernsdorfer, WolfgangBrechin, Euan K.

Dalton Transactions (2009) 42 9157

a=13.3010(3)Å   b=13.3010(3)Å   c=49.1441(19)Å

α=90°   β=90°   γ=120°

C54H66Cl1Mn3N6O11

C54H66Cl1Mn3N6O11

Inglis, RossTaylor, Stephanie M.Jones, Leigh F.Papaefstathiou, Giannis S.Perlepes, Spyros P.Datta, SaitiHill, StephenWernsdorfer, WolfgangBrechin, Euan K.

Dalton Transactions (2009) 42 9157

a=19.5188(15)Å   b=19.5188(15)Å   c=50.368(4)Å

α=90°   β=90°   γ=120°

C57H48Cl1Mn3N6O11

C57H48Cl1Mn3N6O11

Inglis, RossTaylor, Stephanie M.Jones, Leigh F.Papaefstathiou, Giannis S.Perlepes, Spyros P.Datta, SaitiHill, StephenWernsdorfer, WolfgangBrechin, Euan K.

Dalton Transactions (2009) 42 9157

a=13.9058(7)Å   b=19.4110(9)Å   c=19.4946(8)Å

α=90°   β=96.588(3)°   γ=90°

C46H64Mn3N3O13,1.5(CH4O)

C46H64Mn3N3O13,1.5(CH4O)

Inglis, RossTaylor, Stephanie M.Jones, Leigh F.Papaefstathiou, Giannis S.Perlepes, Spyros P.Datta, SaitiHill, StephenWernsdorfer, WolfgangBrechin, Euan K.

Dalton Transactions (2009) 42 9157

a=13.0732(5)Å   b=13.8072(5)Å   c=15.0103(6)Å

α=81.204(3)°   β=84.118(3)°   γ=72.351(2)°

C65H92Mn6N6O27

C65H92Mn6N6O27

Inglis, RossJones, Leigh F.Milios, Constantinos J.Datta, SaitiCollins, AnnaParsons, SimonWernsdorfer, WolfgangHill, StephenPerlepes, Spyros P.Piligkos, StergiosBrechin, Euan K.

Dalton Transactions (2009) 18 3403-3412

a=12.2582(4)Å   b=12.3804(4)Å   c=14.8895(5)Å

α=91.749(2)°   β=107.077(2)°   γ=115.261(2)°

C68H68Mn6N6O24,2(C2H6O),2(H2O)

C68H68Mn6N6O24,2(C2H6O),2(H2O)

Inglis, RossJones, Leigh F.Milios, Constantinos J.Datta, SaitiCollins, AnnaParsons, SimonWernsdorfer, WolfgangHill, StephenPerlepes, Spyros P.Piligkos, StergiosBrechin, Euan K.

Dalton Transactions (2009) 18 3403-3412

a=11.9177(3)Å   b=12.7405(3)Å   c=13.5095(3)Å

α=80.875(1)°   β=77.238(1)°   γ=80.941(1)°

C72H68Mn6N14O20

C72H68Mn6N14O20

Inglis, RossJones, Leigh F.Milios, Constantinos J.Datta, SaitiCollins, AnnaParsons, SimonWernsdorfer, WolfgangHill, StephenPerlepes, Spyros P.Piligkos, StergiosBrechin, Euan K.

Dalton Transactions (2009) 18 3403-3412

a=12.1880(3)Å   b=12.2015(3)Å   c=13.3261(3)Å

α=101.143(1)°   β=96.929(1)°   γ=106.861(1)°

C64H80Mn6N6O24

C64H80Mn6N6O24

Inglis, RossJones, Leigh F.Milios, Constantinos J.Datta, SaitiCollins, AnnaParsons, SimonWernsdorfer, WolfgangHill, StephenPerlepes, Spyros P.Piligkos, StergiosBrechin, Euan K.

Dalton Transactions (2009) 18 3403-3412

a=12.7404(3)Å   b=15.4280(4)Å   c=19.0456(5)Å

α=90.075(2)°   β=103.2920(10)°   γ=98.8750(10)°

C70H96Mn6N6O24

C70H96Mn6N6O24

Inglis, RossJones, Leigh F.Milios, Constantinos J.Datta, SaitiCollins, AnnaParsons, SimonWernsdorfer, WolfgangHill, StephenPerlepes, Spyros P.Piligkos, StergiosBrechin, Euan K.

Dalton Transactions (2009) 18 3403-3412

a=13.521(2)Å   b=13.6880(19)Å   c=13.814(2)Å

α=112.975(9)°   β=95.825(9)°   γ=118.889(7)°

C80H97.00Mn6N6O26

C80H97.00Mn6N6O26

Inglis, RossJones, Leigh F.Milios, Constantinos J.Datta, SaitiCollins, AnnaParsons, SimonWernsdorfer, WolfgangHill, StephenPerlepes, Spyros P.Piligkos, StergiosBrechin, Euan K.

Dalton Transactions (2009) 18 3403-3412

a=12.1777(3)Å   b=12.3384(2)Å   c=14.4043(3)Å

α=84.4970(10)°   β=89.042(2)°   γ=75.2140(10)°

C68H74.50Cl4Mn6N6O24.50

C68H74.50Cl4Mn6N6O24.50

Inglis, RossJones, Leigh F.Milios, Constantinos J.Datta, SaitiCollins, AnnaParsons, SimonWernsdorfer, WolfgangHill, StephenPerlepes, Spyros P.Piligkos, StergiosBrechin, Euan K.

Dalton Transactions (2009) 18 3403-3412

a=11.9218(2)Å   b=12.0379(2)Å   c=13.6675(3)Å

α=85.793(1)°   β=85.319(1)°   γ=75.513(1)°

C25H43CaIN2O3

C25H43CaIN2O3

Datta, SimmiGamer, Michael T.Roesky, Peter W.

Dalton Transactions (2008) 21 2839-2843

a=10.4679(7)Å   b=15.1307(10)Å   c=19.5790(14)Å

α=69.776(5)°   β=81.096(5)°   γ=88.200(5)°

C42H70I2N4O4Sr2,C4H8O

C42H70I2N4O4Sr2,C4H8O

Datta, SimmiGamer, Michael T.Roesky, Peter W.

Dalton Transactions (2008) 21 2839-2843

a=10.4224(9)Å   b=17.5826(10)Å   c=14.7213(11)Å

α=90.00°   β=94.414(6)°   γ=90.00°

C23H31CaN3O

C23H31CaN3O

Datta, SimmiGamer, Michael T.Roesky, Peter W.

Dalton Transactions (2008) 21 2839-2843

a=9.2527(8)Å   b=9.6709(10)Å   c=13.0943(11)Å

α=85.627(8)°   β=77.814(7)°   γ=83.535(8)°

C45H55CaN3O2P2

C45H55CaN3O2P2

Datta, SimmiGamer, Michael T.Roesky, Peter W.

Dalton Transactions (2008) 21 2839-2843

a=11.2102(6)Å   b=20.3384(11)Å   c=19.1420(11)Å

α=90.00°   β=102.373(4)°   γ=90.00°

C72H78O10Zn3,C7H8

C72H78O10Zn3,C7H8

Datta, SimmiGamer, Michael T.Roesky, Peter W.

Dalton Transactions (2008) 13 1761-1764

a=12.6229(8)Å   b=22.6729(9)Å   c=12.8913(8)Å

α=90.00°   β=112.115(5)°   γ=90.00°

C70H72Li2O10Zn,C7H8

C70H72Li2O10Zn,C7H8

Datta, SimmiGamer, Michael T.Roesky, Peter W.

Dalton Transactions (2008) 13 1761-1764

a=11.6597(6)Å   b=15.5812(7)Å   c=19.3475(9)Å

α=90.00°   β=105.443(4)°   γ=90.00°

C10H7O3S,C7H10N

C10H7O3S,C7H10N

Chakraborty, PoulamiDas, BikashPal, PulakDatta, SubhadeepBera, SourabhDastidar, Parthasarathi

Chemical communications (Cambridge, England) (2020) 56, 39 5251-5254

a=16.352(19)Å   b=10.823(12)Å   c=9.736(11)Å

α=90°   β=105.376(13)°   γ=90°

C6H5O3S,C11H12N

C6H5O3S,C11H12N

Chakraborty, PoulamiDas, BikashPal, PulakDatta, SubhadeepBera, SourabhDastidar, Parthasarathi

Chemical communications (Cambridge, England) (2020) 56, 39 5251-5254

a=5.432(8)Å   b=9.545(14)Å   c=15.32(2)Å

α=96.31(2)°   β=93.878(19)°   γ=97.640(19)°

C67H53ClN3O3P3PdRu

C67H53ClN3O3P3PdRu

Datta, SayantiKumar Seth, DipravathHalder, SarmisthaSheldrick, William S.Mayer-Figge, HeikeDrew, Michael G. B.Bhattacharya, Samaresh

RSC Advances (2012) 2, 12 5254

a=19.145(4)Å   b=26.722(6)Å   c=26.880(6)Å

α=66.307(6)°   β=89.242(7)°   γ=87.514(7)°

C68H122Cl6Mn8N12O40

C68H122Cl6Mn8N12O40

Wu, Che-ChihDatta, SaitiWernsdorfer, WolfgangLee, Gene-HsianHill, StephenYang, En-Che

Dalton transactions (Cambridge, England : 2003) (2010) 39, 42 10160-10168

a=24.9951(5)Å   b=24.9951(5)Å   c=15.0263(3)Å

α=90.00°   β=90.00°   γ=120.00°

C66H124Cl6Mn8N8O44

C66H124Cl6Mn8N8O44

Wu, Che-ChihDatta, SaitiWernsdorfer, WolfgangLee, Gene-HsianHill, StephenYang, En-Che

Dalton transactions (Cambridge, England : 2003) (2010) 39, 42 10160-10168

a=25.1391(7)Å   b=25.1391(7)Å   c=15.0311(8)Å

α=90.00°   β=90.00°   γ=120.00°

C11H6CrO3S

C11H6CrO3S

Kumar Das, P.Mukhopadhyay, A.Ray, S.Datta, S.De, A.

Acta Crystallographica Section C (1992) 48, 2 266-268

a=6.619(3)Å   b=11.708(4)Å   c=13.995(5)Å

α=90°   β=100.15(3)°   γ=90°

C23.25H15.5Cl7.75CuN4O3.25

C23.25H15.5Cl7.75CuN4O3.25

Sengupta, AnanyaDatta, SubhadeepSu, ChenliangHerng, Tun SengDing, JunVittal, Jagadese J.Loh, Kian Ping

ACS Applied Materials & Interfaces (2016) 8, 25 16154

a=13.636(3)Å   b=13.636(3)Å   c=19.467(4)Å

α=90°   β=90°   γ=90°

C19H24O2Si

C19H24O2Si

Jhih-Meng TangSabyasachi BhuniaShariar Md. Abu SohelMing-Yuan LinHsin-Yi LiaoSwarup DattaArindam DasRai-Shung Liu

Journal of the American Chemical Society (2007) 129, 15677-15683

a=7.6498(4)Å   b=16.9929(10)Å   c=27.4065(17)Å

α=90.00°   β=90.00°   γ=90.00°

C99H101Fe7N8O28

C99H101Fe7N8O28

Rashmi BagaiSaiti DattaAmalia Betancur-RodriguezKhalil A. AbboudStephen HillGeorge Christou

Inorganic Chemistry (2007) 46, 4535-4547

a=18.6028(14)Å   b=26.8523(14)Å   c=20.8083(13)Å

α=90.00°   β=103.879(2)°   γ=90.00°

C25H54Cl2Fe3N13O7

C25H54Cl2Fe3N13O7

Rashmi BagaiSaiti DattaAmalia Betancur-RodriguezKhalil A. AbboudStephen HillGeorge Christou

Inorganic Chemistry (2007) 46, 4535-4547

a=12.3260(8)Å   b=25.3961(17)Å   c=13.1400(9)Å

α=90.00°   β=99.149(1)°   γ=90.00°

C38H70Fe7N5O28

C38H70Fe7N5O28

Rashmi BagaiSaiti DattaAmalia Betancur-RodriguezKhalil A. AbboudStephen HillGeorge Christou

Inorganic Chemistry (2007) 46, 4535-4547

a=12.4586(8)Å   b=13.5495(9)Å   c=18.690(12)Å

α=70.636(2)°   β=79.731(2)°   γ=73.099(2)°

C58H112Fe6N6O24

C58H112Fe6N6O24

Rashmi BagaiSaiti DattaAmalia Betancur-RodriguezKhalil A. AbboudStephen HillGeorge Christou

Inorganic Chemistry (2007) 46, 4535-4547

a=12.9769(10)Å   b=14.4142(11)Å   c=23.9082(18)Å

α=87.6240(10)°   β=88.5620(10)°   γ=66.0920(10)°

02102

C19H20N2O2,C0.5Cl2

Hosokawa, ToshihitoDatta, SharmisthaSheth, Agam R.Brooks, Neil R.Young, Jr., Victor G.Grant, David J. W.

Crystal Growth & Design (2004) 4, 6 1195-1201

a=25.263(5)Å   b=5.6455(11)Å   c=27.459(5)Å

α=90.00°   β=99.117(4)°   γ=90.00°

02095

C38H38N4O4,C6H6

Hosokawa, ToshihitoDatta, SharmisthaSheth, Agam R.Brooks, Neil R.Young, Jr., Victor G.Grant, David J. W.

Crystal Growth & Design (2004) 4, 6 1195-1201

a=22.407(7)Å   b=6.061(2)Å   c=27.148(9)Å

α=90.00°   β=91.107(5)°   γ=90.00°

02114a

C19H20N2O2,0.5C4H8O2

Hosokawa, ToshihitoDatta, SharmisthaSheth, Agam R.Brooks, Neil R.Young, Jr., Victor G.Grant, David J. W.

Crystal Growth & Design (2004) 4, 6 1195-1201

a=22.567(2)Å   b=6.0016(6)Å   c=27.224(3)Å

α=90.00°   β=93.444(2)°   γ=90.00°

Phenylbutazone tetrahydrofuran solvate

C19H20O2N2,0.5(C4H8O)

Hosokawa, ToshihitoDatta, SharmisthaSheth, Agam R.Brooks, Neil R.Young, Jr., Victor G.Grant, David J. W.

Crystal Growth & Design (2004) 4, 6 1195-1201

a=22.614(2)Å   b=5.9811(6)Å   c=27.193(3)Å

α=90.00°   β=93.819(2)°   γ=90.00°

Phenylbutazone cyclohexane solvate

C19H20N2O2,0.5(C6H12)

Hosokawa, ToshihitoDatta, SharmisthaSheth, Agam R.Brooks, Neil R.Young, Jr., Victor G.Grant, David J. W.

Crystal Growth & Design (2004) 4, 6 1195-1201

a=25.653(3)Å   b=5.6091(7)Å   c=27.551(4)Å

α=90.00°   β=98.621(2)°   γ=90.00°

C27H53N3O2Si2Sr

C27H53N3O2Si2Sr

Datta, SimmiGamer, Michael T.Roesky, Peter W.

Organometallics (2008) 27, 6 1207

a=10.0783(8)Å   b=14.8443(10)Å   c=11.2553(10)Å

α=90.00°   β=95.166(7)°   γ=90.00°

C34H54BaN4O2

C34H54BaN4O2

Datta, SimmiGamer, Michael T.Roesky, Peter W.

Organometallics (2008) 27, 6 1207

a=15.5788(10)Å   b=11.1267(7)Å   c=19.8676(11)Å

α=90.00°   β=90.00°   γ=90.00°

C27H53EuN3O2Si2

C27H53EuN3O2Si2

Datta, SimmiGamer, Michael T.Roesky, Peter W.

Organometallics (2008) 27, 6 1207

a=10.0714(8)Å   b=14.8719(9)Å   c=11.2287(9)Å

α=90.00°   β=95.272(6)°   γ=90.00°

C27H53N3O2Si2Yb

C27H53N3O2Si2Yb

Datta, SimmiGamer, Michael T.Roesky, Peter W.

Organometallics (2008) 27, 6 1207

a=9.9810(5)Å   b=14.7544(11)Å   c=11.2266(7)Å

α=90.00°   β=96.299(5)°   γ=90.00°