Structures by: Singh V. K.

Total: 67

C24H24BrNO4

C24H24BrNO4

Das, TapasSaha, PrasenjitSingh, Vinod K.

Organic letters (2015) 17, 20 5088-5091

a=6.6742(15)Å   b=12.874(3)Å   c=25.688(5)Å

α=90°   β=90°   γ=90°

C19H16N2O4

C19H16N2O4

Bisai, VishnumayaUnhale, Rajshekhar A.Suneja, ArunDhanasekaran, SivasankaranSingh, Vinod K.

Organic letters (2015) 17, 9 2102-2105

a=7.5248(6)Å   b=11.7969(11)Å   c=18.7512(17)Å

α=90.00°   β=98.035(2)°   γ=90.00°

C20H24NO5.5P

C20H24NO5.5P

Suneja, ArunUnhale, Rajshekhar A.Singh, Vinod K.

Organic letters (2017) 19, 3 476-479

a=8.8456(7)Å   b=13.4959(12)Å   c=17.5870(17)Å

α=92.181(4)°   β=98.685(4)°   γ=106.652(3)°

C20H21NO2

C20H21NO2

Karmakar, RajuSuneja, ArunBisai, VishnumayaSingh, Vinod K.

Organic letters (2015) 17, 22 5650-5653

a=7.5747(3)Å   b=10.8659(5)Å   c=20.7341(9)Å

α=90°   β=90°   γ=90°

C19H20N2O3

C19H20N2O3

Dhanasekaran, SivasankaranSuneja, ArunBisai, VishnumayaSingh, Vinod K.

Organic letters (2016) 18, 4 634-637

a=8.40760(10)Å   b=9.63550(10)Å   c=20.2875(3)Å

α=90°   β=98.8380(10)°   γ=90°

C16H12N2O2

C16H12N2O2

Dhanasekaran, SivasankaranSuneja, ArunBisai, VishnumayaSingh, Vinod K.

Organic letters (2016) 18, 4 634-637

a=9.0373(6)Å   b=6.9446(5)Å   c=20.7426(16)Å

α=90°   β=100.138(4)°   γ=90°

C18H16BrNO2

C18H16BrNO2

Dhanasekaran, SivasankaranBisai, VishnumayaUnhale, Rajshekhar A.Suneja, ArunSingh, Vinod K.

Organic letters (2014) 16, 23 6068

a=7.4367(3)Å   b=10.0560(5)Å   c=20.4018(9)Å

α=90.00°   β=90.00°   γ=90.00°

C28H25N3O3S

C28H25N3O3S

Rout, SubhrajitRay, Sumit K.Unhale, Rajshekhar A.Singh, Vinod K.

Organic letters (2014) 16, 21 5568-5571

a=5.844(5)Å   b=24.190(5)Å   c=17.139(5)Å

α=90.000(5)°   β=98.979(5)°   γ=90.000(5)°

C26H21N3O2

C26H21N3O2

Rout, SubhrajitRay, Sumit K.Unhale, Rajshekhar A.Singh, Vinod K.

Organic letters (2014) 16, 21 5568-5571

a=9.135(5)Å   b=11.634(5)Å   c=20.550(5)Å

α=90.000(5)°   β=90.000(5)°   γ=90.000(5)°

C22H16BrNO2

C22H16BrNO2

Dhanasekaran, SivasankaranKayet, AnirbanSuneja, ArunBisai, VishnumayaSingh, Vinod K.

Organic letters (2015) 17, 11 2780-2783

a=5.7399(11)Å   b=15.532(3)Å   c=20.365(4)Å

α=90°   β=96.930(11)°   γ=90°

C17H13N3O,O2

C17H13N3O,O2

Molleti, NagarajuRana, Nirmal K.Singh, Vinod K.

Organic letters (2012) 14, 17 4322-4325

a=11.859(5)Å   b=5.765(5)Å   c=12.062(5)Å

α=90.000(5)°   β=103.121(5)°   γ=90.000(5)°

C18H17BrO5

C18H17BrO5

Sinha, DebarshiBiswas, ArnabSingh, Vinod K.

Organic letters (2015) 17, 13 3302-3305

a=5.6762(6)Å   b=10.5443(11)Å   c=14.1611(14)Å

α=90°   β=100.294(4)°   γ=90°

C26H18ClNO5

C26H18ClNO5

Molleti, NagarajuSingh, Vinod K.

Organic & biomolecular chemistry (2015) 13, 18 5243-5254

a=8.5053(3)Å   b=18.3634(5)Å   c=14.5843(4)Å

α=90°   β=106.636(2)°   γ=90°

C22H22ClNO4

C22H22ClNO4

Ray, Sumit K.Rout, SubhrajitSingh, Vinod K.

Organic & biomolecular chemistry (2013) 11, 15 2412-2416

a=10.6173(7)Å   b=9.2220(6)Å   c=10.9711(7)Å

α=90.00°   β=115.165(2)°   γ=90.00°

C22H22BrNO4

C22H22BrNO4

Ray, Sumit K.Rout, SubhrajitSingh, Vinod K.

Organic & biomolecular chemistry (2013) 11, 15 2412-2416

a=10.1531(9)Å   b=9.1685(7)Å   c=11.3968(9)Å

α=90.00°   β=110.669(2)°   γ=90.00°

C20H17NO3S

C20H17NO3S

Rout, SubhrajitRay, Sumit K.Singh, Vinod K.

Organic & biomolecular chemistry (2013) 11, 27 4537-4545

a=11.7359(8)Å   b=5.5595(4)Å   c=12.5993(9)Å

α=90.00°   β=90.641(2)°   γ=90.00°

C14H18F12N6P2

C14H18F12N6P2

Singh, Vivek KumarDonthireddy, S. N. R.Illam, Praseetha MathoorRit, Arnab

Dalton transactions (Cambridge, England : 2003) (2020) 49, 34 11958-11970

a=8.1345(3)Å   b=10.9351(4)Å   c=13.7618(5)Å

α=109.328(2)°   β=104.605(2)°   γ=98.266(2)°

C28H32Cu2F12N12P2

C28H32Cu2F12N12P2

Singh, Vivek KumarDonthireddy, S. N. R.Illam, Praseetha MathoorRit, Arnab

Dalton transactions (Cambridge, England : 2003) (2020) 49, 34 11958-11970

a=8.986(2)Å   b=16.241(4)Å   c=14.337(3)Å

α=90°   β=106.984(10)°   γ=90°

C28H32Ag2N12,2(F6P)[solvent]

C28H32Ag2N12,2(F6P)[solvent]

Singh, Vivek KumarDonthireddy, S. N. R.Illam, Praseetha MathoorRit, Arnab

Dalton transactions (Cambridge, England : 2003) (2020) 49, 34 11958-11970

a=9.5672(4)Å   b=16.3601(7)Å   c=14.2120(6)Å

α=90°   β=108.632(2)°   γ=90°

C34H44Br2Ir2N6[solvent]

C34H44Br2Ir2N6[solvent]

Singh, Vivek KumarDonthireddy, S. N. R.Illam, Praseetha MathoorRit, Arnab

Dalton transactions (Cambridge, England : 2003) (2020) 49, 34 11958-11970

a=18.0475(6)Å   b=18.9017(7)Å   c=23.8803(9)Å

α=77.6670(10)°   β=77.973(2)°   γ=89.973(2)°

C36H60Cd2Ge2I4N4

C36H60Cd2Ge2I4N4

Selvarajan, NagendranSinhababu, SoumenSharma, Mahendra KumarMahawar, PritamKaur, SupreetSingh, Vivek KumarPaliwal, AkhilYadav, DhirendraKashyap, Hemant K.

Dalton Transactions (2019)

a=9.1533(15)Å   b=26.486(5)Å   c=10.1617(17)Å

α=90.00°   β=106.896(3)°   γ=90.00°

C36H60CdGe2I2N4

C36H60CdGe2I2N4

Selvarajan, NagendranSinhababu, SoumenSharma, Mahendra KumarMahawar, PritamKaur, SupreetSingh, Vivek KumarPaliwal, AkhilYadav, DhirendraKashyap, Hemant K.

Dalton Transactions (2019)

a=17.8395(18)Å   b=19.3485(19)Å   c=24.563(2)Å

α=90.00°   β=90.00°   γ=90.00°

C35.96H60Ge2I4N4Zn2

C35.96H60Ge2I4N4Zn2

Selvarajan, NagendranSinhababu, SoumenSharma, Mahendra KumarMahawar, PritamKaur, SupreetSingh, Vivek KumarPaliwal, AkhilYadav, DhirendraKashyap, Hemant K.

Dalton Transactions (2019)

a=18.971(3)Å   b=13.2411(19)Å   c=21.886(4)Å

α=90°   β=90°   γ=90°

C36H60Cl2Ge2N4Zn

C36H60Cl2Ge2N4Zn

Selvarajan, NagendranSinhababu, SoumenSharma, Mahendra KumarMahawar, PritamKaur, SupreetSingh, Vivek KumarPaliwal, AkhilYadav, DhirendraKashyap, Hemant K.

Dalton Transactions (2019)

a=12.144(4)Å   b=24.530(8)Å   c=13.845(4)Å

α=90.00°   β=96.653(7)°   γ=90.00°

C36H58Cd2Cl4Ge2N4,2(CH2Cl2)

C36H58Cd2Cl4Ge2N4,2(CH2Cl2)

Selvarajan, NagendranSinhababu, SoumenSharma, Mahendra KumarMahawar, PritamKaur, SupreetSingh, Vivek KumarPaliwal, AkhilYadav, DhirendraKashyap, Hemant K.

Dalton Transactions (2019)

a=12.5950(9)Å   b=14.9960(10)Å   c=14.4998(10)Å

α=90°   β=106.891(2)°   γ=90°

C36H60Cl4Ge2N4Se2Zn2

C36H60Cl4Ge2N4Se2Zn2

Selvarajan, NagendranSinhababu, SoumenSharma, Mahendra KumarMahawar, PritamKaur, SupreetSingh, Vivek KumarPaliwal, AkhilYadav, DhirendraKashyap, Hemant K.

Dalton Transactions (2019)

a=10.268(2)Å   b=11.193(2)Å   c=12.837(3)Å

α=87.685(4)°   β=79.561(5)°   γ=75.846(5)°

C20H16BrN2O2

C20H16BrN2O2

Das, TapasKayet, AnirbanMishra, RuchikaSingh, Vinod K.

Chemical communications (Cambridge, England) (2016) 52, 75 11231-11234

a=21.0000(18)Å   b=7.6152(6)Å   c=23.7899(19)Å

α=90°   β=112.403(2)°   γ=90°

C23H19N3O3S

C23H19N3O3S

Unhale, Rajshekhar A.Sadhu, Milon M.Ray, Sumit K.Biswas, Rayhan G.Singh, Vinod K.

Chemical communications (Cambridge, England) (2018) 54, 28 3516-3519

a=8.5975(2)Å   b=12.0983(2)Å   c=19.9600(4)Å

α=90°   β=90°   γ=90°

C13H19Cl2CuN3O

C13H19Cl2CuN3O

Kumari, SwetaMahato, Arun KumarMaurya, AbhishekSingh, Vijay KumarKesharwani, NehaKachhap, PayalKoshevoy, Igor O.Haldar, Chanchal

New J. Chem. (2017)

a=11.8119(4)Å   b=13.0851(4)Å   c=13.4912(4)Å

α=90.4010(10)°   β=91.0350(10)°   γ=107.506(2)°

C21H19ClN2O3

C21H19ClN2O3

Santosh AgrawalNagaraju MolletiVinod K. Singh

Chem.Commun. (2015) 51, 9793

a=6.1999(5)Å   b=13.2765(11)Å   c=23.277(2)Å

α=90°   β=90°   γ=90°

C21H17BrN2O4

C21H17BrN2O4

Rout, SubhrajitDas, ArkoSingh, Vinod K.

Chemical communications (Cambridge, England) (2017) 53, 37 5143-5146

a=12.610(5)Å   b=5.974(5)Å   c=12.888(5)Å

α=90°   β=106.487(5)°   γ=90°

C16H16N2O3S

C16H16N2O3S

Rout, SubhrajitDas, ArkoSingh, Vinod K.

Chemical communications (Cambridge, England) (2017) 53, 37 5143-5146

a=7.683(5)Å   b=10.196(5)Å   c=19.340(5)Å

α=90°   β=90°   γ=90°

C18H17ClN2O3

C18H17ClN2O3

Rout, SubhrajitDas, ArkoSingh, Vinod K.

Chemical communications (Cambridge, England) (2017) 53, 37 5143-5146

a=10.8555(4)Å   b=12.1442(5)Å   c=12.5528(5)Å

α=90°   β=90°   γ=90°

C16H11ClN2O2

C16H11ClN2O2

Singh, Vinay KumarVerma, Sanjay KumarKadu, Rahul VilasraoMobin, Shaikh M.

RSC Adv. (2015)

a=5.0576(4)Å   b=11.4615(7)Å   c=23.3465(11)Å

α=90.00°   β=91.898(6)°   γ=90.00°

C17H12ClNO2

C17H12ClNO2

Singh, Vinay KumarVerma, Sanjay KumarKadu, Rahul VilasraoMobin, Shaikh M.

RSC Adv. (2015)

a=10.2681(4)Å   b=7.7447(3)Å   c=17.5818(9)Å

α=90.00°   β=93.836(4)°   γ=90.00°

C17H13NO2

C17H13NO2

Singh, Vinay KumarVerma, Sanjay KumarKadu, Rahul VilasraoMobin, Shaikh M.

RSC Adv. (2015)

a=10.8597(13)Å   b=24.115(4)Å   c=5.0303(7)Å

α=90°   β=90°   γ=90°

C16H16ClNO2

C16H16ClNO2

Singh, Vinay KumarVerma, Sanjay KumarKadu, Rahul VilasraoMobin, Shaikh M.

RSC Adv. (2015)

a=8.1167(10)Å   b=8.3589(10)Å   c=10.5321(13)Å

α=92.178(10)°   β=104.565(11)°   γ=94.094(10)°

C15H10ClNO3

C15H10ClNO3

Singh, Vinay KumarVerma, Sanjay KumarKadu, Rahul VilasraoMobin, Shaikh M.

RSC Adv. (2015)

a=7.4914(2)Å   b=20.7986(5)Å   c=7.9056(2)Å

α=90°   β=93.019(2)°   γ=90°

C68H44Co2N4O6

C68H44Co2N4O6

Singh, Vinay K.Kadu, RahulRoy, HetalRaghavaiah, PallepoguMobin, Shaikh M.

Dalton transactions (Cambridge, England : 2003) (2016) 45, 4 1443-1454

a=11.840(3)Å   b=12.679(3)Å   c=37.680(8)Å

α=90.00°   β=95.358(4)°   γ=90.00°

C52H36Co2N4O6

C52H36Co2N4O6

Singh, Vinay K.Kadu, RahulRoy, HetalRaghavaiah, PallepoguMobin, Shaikh M.

Dalton transactions (Cambridge, England : 2003) (2016) 45, 4 1443-1454

a=26.3438(6)Å   b=12.3067(3)Å   c=28.9628(7)Å

α=90.00°   β=90.00°   γ=90.00°

C52H36Cu2N4O6,C2H5.5OS

C52H36Cu2N4O6,C2H5.5OS

Singh, Vinay K.Kadu, RahulRoy, HetalRaghavaiah, PallepoguMobin, Shaikh M.

Dalton transactions (Cambridge, England : 2003) (2016) 45, 4 1443-1454

a=26.2828(4)Å   b=12.25878(17)Å   c=28.8218(4)Å

α=90.00°   β=90.00°   γ=90.00°

C52H36Cu2N4O6,2(CH2Cl2)

C52H36Cu2N4O6,2(CH2Cl2)

Singh, Vinay K.Kadu, RahulRoy, HetalRaghavaiah, PallepoguMobin, Shaikh M.

Dalton transactions (Cambridge, England : 2003) (2016) 45, 4 1443-1454

a=16.5132(3)Å   b=14.6766(2)Å   c=19.2170(3)Å

α=90.00°   β=96.1890(10)°   γ=90.00°

2(C68H44Cu2N4O6),8(O),CCl3

2(C68H44Cu2N4O6),8(O),CCl3

Singh, Vinay K.Kadu, RahulRoy, HetalRaghavaiah, PallepoguMobin, Shaikh M.

Dalton transactions (Cambridge, England : 2003) (2016) 45, 4 1443-1454

a=19.0398(9)Å   b=21.6349(7)Å   c=31.0856(15)Å

α=90.00°   β=100.470(5)°   γ=90.00°

C21H21N3O3S

C21H21N3O3S

Guin, SrimantaDeb, ArghyaDolui, PravasChakraborty, SouvikSingh, Vikas KumarMaiti, Debabrata

ACS Catalysis (2018) 8, 4 2664

a=6.3615(3)Å   b=10.4427(8)Å   c=15.1313(9)Å

α=85.229(5)°   β=87.860(4)°   γ=76.106(5)°

C29H26N2O3S

C29H26N2O3S

Dhanasekaran, SivasankaranKannaujiya, Vinod K.Biswas, Rayhan G.Singh, Vinod K.

The Journal of organic chemistry (2019) 84, 6 3275-3292

a=5.5820(2)Å   b=10.6694(3)Å   c=40.2605(10)Å

α=90°   β=90°   γ=90°

C22H15BrN2O2,C2H6OS

C22H15BrN2O2,C2H6OS

Das, Deb K.Kannaujiya, Vinod KumarSadhu, Milon MohanRay, Sumit KumarSingh, Vinod K.

The Journal of organic chemistry (2019)

a=12.066(3)Å   b=10.127(3)Å   c=18.528(5)Å

α=90°   β=90.135(18)°   γ=90°

C29H26BrF3N2O3

C29H26BrF3N2O3

Joshi, HarshitYadav, AnkitDas, ArkoSingh, Vinod K.

The Journal of organic chemistry (2020)

a=10.6343(5)Å   b=11.7382(5)Å   c=20.6645(10)Å

α=90°   β=90°   γ=90°

C25H17BrF3NO3

C25H17BrF3NO3

Joshi, HarshitYadav, AnkitDas, ArkoSingh, Vinod K.

The Journal of organic chemistry (2020)

a=9.8347(5)Å   b=22.0058(12)Å   c=10.1652(6)Å

α=90°   β=94.998(2)°   γ=90°

C23H22BrN3O3

C23H22BrN3O3

Ray, Sumit K.Biswas, Rayhan G.Suneja, ArunSadhu, Milon M.Singh, Vinod K.

The Journal of organic chemistry (2018) 83, 4 2293-2308

a=5.65230(10)Å   b=17.3959(4)Å   c=21.5001(5)Å

α=90.00°   β=90.00°   γ=90.00°

C42H35BrN4O5,C2H6O

C42H35BrN4O5,C2H6O

Ray, Sumit K.Biswas, Rayhan G.Suneja, ArunSadhu, Milon M.Singh, Vinod K.

The Journal of organic chemistry (2018) 83, 4 2293-2308

a=10.9679(2)Å   b=17.7320(3)Å   c=20.2762(4)Å

α=90°   β=90°   γ=90°

C23H22BrN3O3

C23H22BrN3O3

Ray, Sumit K.Biswas, Rayhan G.Suneja, ArunSadhu, Milon M.Singh, Vinod K.

The Journal of organic chemistry (2018) 83, 4 2293-2308

a=5.6515(12)Å   b=8.034(2)Å   c=12.082(3)Å

α=81.886(8)°   β=88.585(9)°   γ=73.865(9)°

C23H18ClNO4

C23H18ClNO4

Saha, PrasenjitBiswas, ArnabMolleti, NagarajuSingh, Vinod K.

The Journal of organic chemistry (2015) 80, 21 11115-11122

a=8.1242(10)Å   b=5.5478(7)Å   c=21.829(3)Å

α=90°   β=92.466(5)°   γ=90°

C24H22N2O2S

C24H22N2O2S

Shikha GandhiAlakesh BisaiB. A. Bhanu PrasadVinod K. Singh

Journal of Organic Chemistry (2007) 72, 2133-2142

a=11.497(5)Å   b=10.691(5)Å   c=16.431(5)Å

α=90.000(5)°   β=92.002(5)°   γ=90.000(5)°

C23H16ClNO5

C23H16ClNO5

Sumit K. RayPradeep K. SinghNagaraju MolletiVinod K. Singh

Journal of Organic Chemistry (2012) 77, 8802-8808

a=10.116(5)Å   b=11.267(6)Å   c=16.714(4)Å

α=90.000°   β=90.000°   γ=90.000°

[(η^5^-C~5~Me~5~)Ru{η^2^-PhCCCOPh}{κ^2^ P,N-^i^Pr~2~PNH(C~5~H~4~N)}] [BPh~4~]

C36H44N2OPRu,C24H20B

Singh, Vinay K.Bustelo, Emiliode los Ríos, IsaacMacías-Arce, IgnacioPuerta, M. CarmenValerga, PedroOrtuño, Manuel ÁngelUjaque, GregoriLledós, Agustí

Organometallics (2011) 30, 15 4014

a=13.599(3)Å   b=13.869(3)Å   c=13.899(3)Å

α=70.76(3)°   β=84.98(3)°   γ=89.92(3)°

C18H20ClNO3

C18H20ClNO3

Ray, Sumit K.Biswas, Rayhan G.Suneja, ArunSadhu, Milon M.Singh, Vinod K.

The Journal of organic chemistry (2018) 83, 4 2293-2308

a=8.5819(4)Å   b=10.4353(5)Å   c=18.2940(10)Å

α=90.00°   β=90.00°   γ=90.00°

C39H30Fe4O3

C39H30Fe4O3

Mathur, PradeepSingh, Amrendra K.Singh, Vinay K.Singh, PritiRahul,Mobin, Shaikh M.Thöne, Carsten

Organometallics (2005) 24, 20 4793

a=7.3919(8)Å   b=11.0879(11)Å   c=18.6596(18)Å

α=97.989(5)°   β=91.177(5)°   γ=99.269(5)°

C30H20Fe4O6

C30H20Fe4O6

Mathur, PradeepSingh, Amrendra K.Singh, Vinay K.Singh, PritiRahul,Mobin, Shaikh M.Thöne, Carsten

Organometallics (2005) 24, 20 4793

a=7.8400(12)Å   b=11.9950(8)Å   c=14.4890(8)Å

α=94.442(5)°   β=93.843(8)°   γ=105.805(8)°

C28H20Fe3O4

C28H20Fe3O4

Mathur, PradeepSingh, Amrendra K.Singh, Vinay K.Singh, PritiRahul,Mobin, Shaikh M.Thöne, Carsten

Organometallics (2005) 24, 20 4793

a=35.321(3)Å   b=6.4260(7)Å   c=24.8580(18)Å

α=90.00°   β=121.848(6)°   γ=90.00°

C36H30Fe3

C36H30Fe3

Mathur, PradeepSingh, Amrendra K.Singh, Vinay K.Singh, PritiRahul,Mobin, Shaikh M.Thöne, Carsten

Organometallics (2005) 24, 20 4793

a=11.9320(12)Å   b=12.4940(11)Å   c=18.1790(14)Å

α=90.00°   β=95.373(8)°   γ=90.00°

C12H11FeS0.5

C12H11FeS0.5

Mathur, PradeepSingh, Amrendra K.Singh, Vinay K.Singh, PritiRahul,Mobin, Shaikh M.Thöne, Carsten

Organometallics (2005) 24, 20 4793

a=8.0620(9)Å   b=24.1030(7)Å   c=9.9580(17)Å

α=90.00°   β=90.00°   γ=90.00°

C24H14Fe4O8Se4

C24H14Fe4O8Se4

Mathur, PradeepSingh, Vinay K.Mobin, Shaikh M.Srinivasu, ChimalakondaTrivedi, RajivBhunia, Anjan K.Puranik, Vedavati G.

Organometallics (2005) 24, 3 367

a=11.2890(7)Å   b=10.9700(12)Å   c=24.1500(17)Å

α=90.000(7)°   β=96.531(6)°   γ=90.000(8)°

C24H14Fe3O8RuS2Se2

C24H14Fe3O8RuS2Se2

Mathur, PradeepSingh, Vinay K.Mobin, Shaikh M.Srinivasu, ChimalakondaTrivedi, RajivBhunia, Anjan K.Puranik, Vedavati G.

Organometallics (2005) 24, 3 367

a=11.4021(17)Å   b=10.8602(17)Å   c=24.127(4)Å

α=90.00°   β=97.031(3)°   γ=90.00°

C24H14Fe4O8S2Se2

C24H14Fe4O8S2Se2

Mathur, PradeepSingh, Vinay K.Mobin, Shaikh M.Srinivasu, ChimalakondaTrivedi, RajivBhunia, Anjan K.Puranik, Vedavati G.

Organometallics (2005) 24, 3 367

a=11.2860(11)Å   b=10.8070(15)Å   c=23.9350(10)Å

α=90.000(9)°   β=96.608(6)°   γ=90.000(10)°