Structures published

Total: 50

C₆H₁₈ClCuN_4,Cl_,H₂O

C₆H₁₈ClCuN_4,Cl_,H₂O

Fu, Chunyan Lizhao, Junhong Luo, Zhenghui Wang, Tao Grapperhaus, Craig A.Ding, Xueqin Kang, Y. James

Metallomics : integrated biometal science (2019) 11, 3 565-575

a=7.0684(2)Å b=10.5124(4)Å c=16.5540(5)Å

α=90° β=90° γ=90°

N-(2-((2-mercaptoethyl)amino)ethyl)-1-methyl-1H-imidazole -2-carboxamido nickel(II)

C₉H₁₄N₄NiOS_,H₂O

Saraei, Nina Hietsoi, Oleksandr Mullins, Christopher S.Gupta, Alexander J.Frye, Brian C.Mashuta, Mark S.Buchanan, Robert M.Grapperhaus, Craig A.

CrystEngComm (2018) 20, 44 7071

a=11.9515(15)Å b=4.8375(6)Å c=22.198(3)Å

α=90.00° β=103.424(2)° γ=90.00°

Bis-(N-(2-aminoethyl)-1-methyl-1H-imidazole-2-carboxamido) nickel(II)

C₁₄H₂₂N₈NiO_2,H₂O

Saraei, Nina Hietsoi, Oleksandr Mullins, Christopher S.Gupta, Alexander J.Frye, Brian C.Mashuta, Mark S.Buchanan, Robert M.Grapperhaus, Craig A.

CrystEngComm (2018) 20, 44 7071

a=9.1756(19)Å b=10.590(2)Å c=9.4434(19)Å

α=90.00° β=98.876(3)° γ=90.00°

1-methyl-N-(2-((4-oxopentan-2-ylidene)amino)ethyl)-1H-imidazole-2-carboxamido nickel(II)

C₁₂H₁₆N₄NiO_2,3(H₂O)

Saraei, Nina Hietsoi, Oleksandr Mullins, Christopher S.Gupta, Alexander J.Frye, Brian C.Mashuta, Mark S.Buchanan, Robert M.Grapperhaus, Craig A.

CrystEngComm (2018) 20, 44 7071

a=6.8975(18)Å b=9.130(2)Å c=12.645(3)Å

α=92.821(4)° β=92.276(4)° γ=104.339(4)°

1-methyl-(methyl-(3-(2-ethyl)imino)butanoate) -1H-imidazole-2-carboxamido nickel(II)

C₁₂H₁₆N₄NiO_3,H₂O

Saraei, Nina Hietsoi, Oleksandr Mullins, Christopher S.Gupta, Alexander J.Frye, Brian C.Mashuta, Mark S.Buchanan, Robert M.Grapperhaus, Craig A.

CrystEngComm (2018) 20, 44 7071

a=9.2792(6)Å b=13.6005(8)Å c=21.7240(13)Å

α=90.00° β=95.3700(10)° γ=90.00°

1,5-bis(benzothiazolyl)-3-thiapentane

C₁₈H₁₆N₂S₃

Grapperhaus, Craig A.Li, Ming Mashuta, Mark S.

Chemical Communications (2002) 16 1792

a=31.066(4)Å b=4.9437(6)Å c=11.2118(14)Å

α=90.00° β=110.472(2)° γ=90.00°

[(bbttp)Ag]2 CH3CN (PF6)2

C₃₈H₃₅Ag₂N₅S_6,CCl_2,2(PF₆)

Grapperhaus, Craig A.Li, Ming Mashuta, Mark S.

Chemical Communications (2002) 16 1792

a=13.408(1)Å b=16.540(2)Å c=13.188(1)Å

α=77.625(2)° β=117.474(2)° γ=112.922(2)°

L3-Cu[ClO4]2

C₁₂H₂₀Cl₂CuN₆O₈

Jain, Rahul Gibson, Tony J.Mashuta, Mark S.Buchanan, Robert M.Grapperhaus, Craig A.

Dalton transactions (Cambridge, England : 2003) (2016) 45, 45 18356-18364

a=17.244(2)Å b=8.1023(10)Å c=13.7251(15)Å

α=90.00° β=96.258(12)° γ=90.00°

[HL3-Cu(CH3CN)2][ClO4]3

C₁₆H₂₇CuN_8,3(ClO₄)_,C₂H₃N

Jain, Rahul Gibson, Tony J.Mashuta, Mark S.Buchanan, Robert M.Grapperhaus, Craig A.

Dalton transactions (Cambridge, England : 2003) (2016) 45, 45 18356-18364

a=23.0000(5)Å b=8.71951(15)Å c=30.2613(6)Å

α=90.00° β=92.295(2)° γ=90.00°

[L1Cu(OClO3)]ClO4

C₁₄H₁₉ClCuN₇O_4,ClO₄

Zhang, Wuyu Saraei, Nina Nie, Hanlin Vaughn, John R.Jones, Alexis S.Mashuta, Mark S.Buchanan, Robert M.Grapperhaus, Craig A.

Dalton transactions (Cambridge, England : 2003) (2016) 45, 40 15791-15799

a=8.7479(8)Å b=10.1421(7)Å c=12.9690(10)Å

α=68.941(7)° β=75.950(7)° γ=88.025(7)°

[L1Cu(OH2)]ClO4

C₁₂H₁₈ClCuN₆O_5,ClO₄

Zhang, Wuyu Saraei, Nina Nie, Hanlin Vaughn, John R.Jones, Alexis S.Mashuta, Mark S.Buchanan, Robert M.Grapperhaus, Craig A.

Dalton transactions (Cambridge, England : 2003) (2016) 45, 40 15791-15799

a=8.227(3)Å b=11.003(4)Å c=11.441(4)Å

α=78.99(3)° β=70.69(3)° γ=88.76(3)°

[L2Cu(HOCH3)][ClO4]2

C₁₄H₂₄ClCuN₆O_6,ClO₄

Zhang, Wuyu Saraei, Nina Nie, Hanlin Vaughn, John R.Jones, Alexis S.Mashuta, Mark S.Buchanan, Robert M.Grapperhaus, Craig A.

Dalton transactions (Cambridge, England : 2003) (2016) 45, 40 15791-15799

a=13.0049(3)Å b=11.5913(2)Å c=15.1039(4)Å

α=90.00° β=104.371(3)° γ=90.00°

[L2Cu(HOCH3)][O3SCF3]2

C₁₅H₂₄CuF₃N₆O₅S_,CF₃O₃S_,0.67(H₂O)

Zhang, Wuyu Saraei, Nina Nie, Hanlin Vaughn, John R.Jones, Alexis S.Mashuta, Mark S.Buchanan, Robert M.Grapperhaus, Craig A.

Dalton transactions (Cambridge, England : 2003) (2016) 45, 40 15791-15799

a=8.30645(16)Å b=12.6697(2)Å c=13.6657(2)Å

α=93.3069(14)° β=103.0089(16)° γ=107.1032(17)°

[L2Cu(HOCH3)][BF4]2

C₁₄H₂₄CuN₆O_2,2(BF₄)

Zhang, Wuyu Saraei, Nina Nie, Hanlin Vaughn, John R.Jones, Alexis S.Mashuta, Mark S.Buchanan, Robert M.Grapperhaus, Craig A.

Dalton transactions (Cambridge, England : 2003) (2016) 45, 40 15791-15799

a=7.83639(13)Å b=11.5417(3)Å c=12.5358(3)Å

α=88.3240(19)° β=73.9097(18)° γ=82.5500(16)°

L1

C₁₂H₁₆N_6,H₂O

Zhang, Wuyu Saraei, Nina Nie, Hanlin Vaughn, John R.Jones, Alexis S.Mashuta, Mark S.Buchanan, Robert M.Grapperhaus, Craig A.

Dalton transactions (Cambridge, England : 2003) (2016) 45, 40 15791-15799

a=9.37814(17)Å b=12.2120(2)Å c=11.9164(2)Å

α=90.00° β=95.9045(16)° γ=90.00°

Ethyl 1-methyimidazole-2-carboxylate

C₇H₁₀N₂O₂

Frye, Brian C.Mashuta, Mark S.Mullins, Christopher S.Grapperhaus, Craig A.Buchanan, Robert M.

Acta Crystallographica Section E (2006) 62, 4 o1548-o1549

a=7.1040(8)Å b=15.2244(18)Å c=7.4511(9)Å

α=90.00° β=112.797(2)° γ=90.00°

{3,3'-[ethane-1,2-diylbis(methylimino)]dipropane-1-thiolato}nickel(II)

C₁₀H₂₂N₂NiS₂

Grapperhaus, Craig A.O'Toole, Martin G.Mashuta, Mark S.

Acta Crystallographica Section E (2007) 63, 9 m2281-m2281

a=8.2290(16)Å b=13.304(3)Å c=11.691(2)Å

α=90.00° β=92.931(3)° γ=90.00°

Cis-Dioxocyclam

C₁₀H₂₀N₄O₂

Mashuta, Mark S.Pimenov, Konstantin V.Grapperhaus, Craig A.

Acta Crystallographica Section C (2002) 58, 4 o226-o227

a=15.1714(9)Å b=9.0190(5)Å c=17.2111(10)Å

α=90° β=90° γ=90°

2(C₅₆H₄₆P₃ReS₃)_,1(C₆H₅Cl)_,0.5(C₆H₄Cl)_,0.75(C₆H₅Cl)_,0.75(C₆Cl)_,5(F₆P)

2(C₅₆H₄₆P₃ReS₃)_,1(C₆H₅Cl)_,0.5(C₆H₄Cl)_,0.75(C₆H₅Cl)_,0.75(C₆Cl)_,5(F₆P)

Grapperhaus, Craig A.Ouch, Kagna Mashuta, Mark S.

Journal of the American Chemical Society (2009) 131, 1 64-65

a=29.009(18)Å b=22.577(18)Å c=43.99(3)Å

α=90.00° β=96.182(17)° γ=90.00°

Re(DPPBT)~3~H

C₅₄H₄₃P₃ReS_3,PF₆

Haddad, Andrew Z.Kumar, Davinder Ouch Sampson, Kagna Matzner, Anna M.Mashuta, Mark S.Grapperhaus, Craig A.

Journal of the American Chemical Society (2015) 137, 29 9238-9241

a=9.59553(9)Å b=33.0018(3)Å c=15.41951(15)Å

α=90.00° β=97.5416(10)° γ=90.00°

Re(DPPBT)~3~H triflate

C₅₄H₄₃P₃ReS_3,CF₃O₃S_,CCl_3,CHCl₃

Haddad, Andrew Z.Kumar, Davinder Ouch Sampson, Kagna Matzner, Anna M.Mashuta, Mark S.Grapperhaus, Craig A.

Journal of the American Chemical Society (2015) 137, 29 9238-9241

a=9.82948(10)Å b=23.6668(2)Å c=25.0735(3)Å

α=90.00° β=94.0071(9)° γ=90.00°

Ru(DPPB-O2)2(DPPBT)

C₅₄H₄₂O₃P₃RuS₃

Craig A. Grapperhaus Selma Poturovic Mark S. Mashuta

Inorganic Chemistry (2005) 44, 8185-8187

a=18.374(3)Å b=12.436(2)Å c=40.497(6)Å

α=90.00° β=99.995(3)° γ=90.00°

(PPN)Ru(DPPB-O2)2(DPPBT)

C₅₄H₄₂O₄P₃RuS_3,C₃₆H₃₀NP₂

Craig A. Grapperhaus Selma Poturovic Mark S. Mashuta

Inorganic Chemistry (2005) 44, 8185-8187

a=13.528(2)Å b=15.278(3)Å c=19.181(3)Å

α=98.811(3)° β=96.488(3)° γ=92.197(3)°

(N-{2-[(2-mercapto-2-methylpropyl)amino]ethyl}- 1-methylimidazole-2-carboxamido)nickel(II)

C₁₁H₁₈N₄NiOS_,H₂O

Christopher S. Mullins Craig A. Grapperhaus Brian C. Frye Larry H. Wood Amy J. Hay Robert M. Buchanan Mark S. Mashuta

Inorganic Chemistry (2009) 48, 9974-9976

a=24.166(11)Å b=5.302(3)Å c=11.363(5)Å

α=90.00° β=97.407(7)° γ=90.00°

(N-{2-[(2-sulfinyl-2-methylpropyl)amino]ethyl}-1- methylimidazole-2-carboxamido)nickel(II)

C₁₁H₁₈N₄NiO₃S

Christopher S. Mullins Craig A. Grapperhaus Brian C. Frye Larry H. Wood Amy J. Hay Robert M. Buchanan Mark S. Mashuta

Inorganic Chemistry (2009) 48, 9974-9976

a=6.0103(9)Å b=10.1562(15)Å c=23.342(4)Å

α=90.00° β=90.00° γ=90.00°

[((N,N'-4,7-bis-(2'-methyl-2'-mercatopropyl) -1-thia-4,7-diazacyclononane)Fe)2OH]OTf

C₂₈H₅₇Fe₂N₄OS_6,CF₃O₃S_,0.75(CH₄O)

Martin G. O'Toole Brian Bennett Mark S. Mashuta Craig A. Grapperhaus

Inorganic Chemistry (2009) 48, 2300-2308

a=15.472(6)Å b=10.629(4)Å c=25.894(13)Å

α=90.00° β=95.172(5)° γ=90.00°

[(bmmp-TASN)Ni]

C₁₂H₂₆N₂NiS₂

Craig A. Grapperhaus Christopher S. Mullins Pawel M. Kozlowski Mark S. Mashuta

Inorganic Chemistry (2004) 43, 2859-2866

a=6.1621(10)Å b=20.7343(10)Å c=12.3340(10)Å

α=90.00° β=98.562(10)° γ=90.00°

[(bmmp-TASN)Ni]

C₁₂H₂₆N₂NiO₂S₂

Craig A. Grapperhaus Christopher S. Mullins Pawel M. Kozlowski Mark S. Mashuta

Inorganic Chemistry (2004) 43, 2859-2866

a=6.6040(13)Å b=12.515(3)Å c=20.482(4)Å

α=90.00° β=97.63(3)° γ=90.00°

[(bmmp-TASN)]

C₁₂H₂₈N₂O₆S₂

Craig A. Grapperhaus Christopher S. Mullins Pawel M. Kozlowski Mark S. Mashuta

Inorganic Chemistry (2004) 43, 2859-2866

a=11.5838(11)Å b=12.4871(12)Å c=12.0844(12)Å

α=90.00° β=98.660(2)° γ=90.00°

[(bmmp-TASN)Zn]

C₁₂H₂₆N₂S₂Zn

Craig A. Grapperhaus Christopher S. Mullins Pawel M. Kozlowski Mark S. Mashuta

Inorganic Chemistry (2004) 43, 2859-2866

a=7.083(3)Å b=11.497(4)Å c=20.830(7)Å

α=90.00° β=90.00° γ=90.00°

[(bmmp-TASN)Fe]~2~o

C₂₈H₅₆Fe₂N₄OS_6,2(CCl₂)

Craig A. Grapperhaus Ming Li Apurba K. Patra Selma Poturovic Pawel M. Kozlowski Marek Z. Zgierski Mark S. Mashuta

Inorganic Chemistry (2003) 42, 4382-4388

a=10.5486(15)Å b=13.0612(19)Å c=8.1852(12)Å

α=96.923(2)° β=112.729(2)° γ=81.048(2)°

[(bmmp-TASN)Zn]

C₁₄H₂₈N₂S₃Zn_,CH₂Cl_2,H₂O

Craig A. Grapperhaus Ming Li Apurba K. Patra Selma Poturovic Pawel M. Kozlowski Marek Z. Zgierski Mark S. Mashuta

Inorganic Chemistry (2003) 42, 4382-4388

a=9.5759(6)Å b=20.9790(13)Å c=10.7113(7)Å

α=90.00° β=91.2830(10)° γ=90.00°

C₈H₂₀N₂NiO₃S₂

C₈H₂₀N₂NiO₃S₂

Vincent E. Kaasjager Elisabeth Bouwman S. Gorter Jan Reedijk Craig A. Grapperhaus Joseph H. Reibenspies Jason J. Smee Marcetta Y. Darensbourg Agnes Derecskei-Kovacs Lisa M. Thomson

Inorganic Chemistry (2002) 41, 1837-1844

a=11.659(2)Å b=13.119(3)Å c=16.869(3)Å

α=90.00° β=90.00° γ=90.00°

C₁₀H₂₄N₂I₂NiS₂

C₁₀H₂₄N₂I₂NiS₂

Vincent E. Kaasjager Elisabeth Bouwman S. Gorter Jan Reedijk Craig A. Grapperhaus Joseph H. Reibenspies Jason J. Smee Marcetta Y. Darensbourg Agnes Derecskei-Kovacs Lisa M. Thomson

Inorganic Chemistry (2002) 41, 1837-1844

a=8.865(3)Å b=14.419(4)Å c=14.389(6)Å

α=90.00000° β=100.19(3)° γ=90.00000°

(N-(2'-methyl-2'-sulfenatopropyl)-N'-(2'-methyl-2'-sulfinatopropyl) -1-thia-4,7-diazacyclononane)(triphenylphosphine)ruthenium(II)

C₃₂H₄₃N₂O₃PRuS_3,CH₄O_,0.33(C₃O₃)

César A. Masitas Mark S. Mashuta Craig A. Grapperhaus

Inorganic Chemistry (2010) 49, 5344-5346

a=9.0426(5)Å b=10.4315(6)Å c=19.8314(11)Å

α=80.6320(10)° β=88.2470(10)° γ=70.8840(10)°

(N,N'-bis-(2'-methyl-2'-mercaptopropyl)-1-thia-4,7-diazacyclononane) (triphenylphosphine)ruthenium(II)

C₃₂H₄₃N₂PRuS₃

César A. Masitas Mark S. Mashuta Craig A. Grapperhaus

Inorganic Chemistry (2010) 49, 5344-5346

a=11.085(4)Å b=16.885(6)Å c=16.110(6)Å

α=90.00° β=95.848(6)° γ=90.00°

Dichloro(4-((1-methyl-1H-imidazol-2-yl)methyl)- 1-thia-4,7-diazacyclononane)iron(III) tetrachloroferrate(III)

C₁₁H₂₀Cl₂FeN₄S_,Cl₄Fe

Jinlan Cui Mark S. Mashuta Robert M. Buchanan Craig A. Grapperhaus

Inorganic Chemistry (2010) 49, 10427-10435

a=13.0605(6)Å b=10.4331(5)Å c=16.1935(7)Å

α=90.00° β=110.2420(10)° γ=90.00°

Dichloro(4-((1-methyl-1H-imidazol-2-yl)methyl)- 1-thia-4,7-diazacyclononane)iron(III) hexafluorophosphate

C₁₁H₂₀Cl₂FeN₄S_,F₆P

Jinlan Cui Mark S. Mashuta Robert M. Buchanan Craig A. Grapperhaus

Inorganic Chemistry (2010) 49, 10427-10435

a=7.6275(8)Å b=14.4722(15)Å c=16.9469(17)Å

α=90.00° β=93.766(2)° γ=90.00°

Mu-oxo-bis(chloro(4-((1-methyl-1H-imidazol-2-yl)methyl)- 1-thia-4,7-diazacyclononane)iron(III)) hexafluorophosphate

C₂₂H₄₀Cl₂Fe₂N₈OS_2,F₆P_,Cl

Jinlan Cui Mark S. Mashuta Robert M. Buchanan Craig A. Grapperhaus

Inorganic Chemistry (2010) 49, 10427-10435

a=8.7061(4)Å b=16.0693(8)Å c=23.5679(12)Å

α=90.00° β=90.00° γ=90.00°

[PPN][Ru(DPPBT)~3~]

C₅₄H₄₂P₃RuS_3,C₃₆H₃₀NP₂

Craig A. Grapperhaus Selma Poturovic Mark S. Mashuta

Inorganic Chemistry (2002) 41, 4309-4311

a=10.3556(7)Å b=16.7730(12)Å c=21.7335(16)Å

α=86.45(1)° β=81.45(1)° γ=82.35(1)°

[Ru((DPPBT)~2~CH~2~)(DPPBT)]Cl

C₅₅H₄₄P₃RuS_3,2(Cl_0.5)_,3(C_0.33H_0.66Cl_0.66)_,3(C_0.5H_1.5O_0.5H_0.5)_,3(HO_0.5)

Craig A. Grapperhaus Selma Poturovic Mark S. Mashuta

Inorganic Chemistry (2002) 41, 4309-4311

a=21.5147(7)Å b=21.5147(7)Å c=61.015(4)Å

α=90.00° β=90.00° γ=120.00°

(N-(2'-methyl-2'-mercaptopropyl)-N'-(2'-methyl-2'-sulfinatopropyl) -1-thia-4,7-diazacyclononane)(triphenylphosphine)ruthenium(II)

C₃₂H₄₃N₂O₂PRuS₃

César A. Masitas Manoj Kumar Mark S. Mashuta Pawel M. Kozlowski Craig A. Grapperhaus

Inorganic Chemistry (2010) 49, 10875-10881

a=11.0203(7)Å b=17.4414(11)Å c=16.0538(10)Å

α=90.00° β=96.4850(10)° γ=90.00°

C₉H₁₄N₂NiO₂S₂

C₉H₁₄N₂NiO₂S₂

Green, Kayla N.Brothers, Scott M.Jenkins, Roxanne M.Carson, Cody E.Grapperhaus, Craig A.Darensbourg, Marcetta Y.

Inorganic chemistry (2007) 46, 18 7536-7544

a=16.054(5)Å b=8.947(3)Å c=15.282(5)Å

α=90.00° β=90.00° γ=90.00°

C₂₂H₄₈N₄NiO₄S₂

C₂₂H₄₈N₄NiO₄S₂

Green, Kayla N.Brothers, Scott M.Jenkins, Roxanne M.Carson, Cody E.Grapperhaus, Craig A.Darensbourg, Marcetta Y.

Inorganic chemistry (2007) 46, 18 7536-7544

a=10.1135(6)Å b=10.1135(6)Å c=52.752(5)Å

α=90.00° β=90.00° γ=90.00°

Ru(II)EDBTPDPP Br

C₅₆H₄₆P₃RuS_3,0.75(C₆H₅Cl)_,Br

Grapperhaus, Craig A.Venna, Kiran B.Mashuta, Mark S.

Inorganic chemistry (2007) 46, 19 8044-8050

a=10.2565(9)Å b=13.2338(12)Å c=38.325(3)Å

α=90.00° β=93.3960(10)° γ=90.00°

C₃₈H₄₈BFeN₈O₂

C₃₈H₄₈BFeN₈O₂

Craig A. Grapperhaus Bernd Mienert Eckhard Bill Thomas Weyhermüller Karl Wieghardt

Inorganic Chemistry (2000) 39, 5306-5317

a=11.945(2)Å b=12.599(2)Å c=24.455(4)Å

α=90.00° β=102.20(2)° γ=90.00°

C₈₆H₇₂B₂F₄₈N₄Ni₂OS₂

C₈₆H₇₂B₂F₄₈N₄Ni₂OS₂

Craig A. Grapperhaus John A. Bellefeuille Joseph H. Reibenspies Marcetta Y. Darensbourg

Inorganic Chemistry (1999) 38, 3698-3703

a=13.009(3)Å b=13.626(3)Å c=16.031(3)Å

α=73.06(3)° β=74.12(3)° γ=86.48(3)°

[(2-(diphenylphosphine)thiaphenolato)(p-methylphenylethane- 1,2-diylbis(thio-2,1-phenylene)diphenylphosphine)ruthenium(II)] hexafluorophosphate

C₆₃H₅₂P₃RuS_3,2(C₆H₅Cl)_,F₆P

Kagna Ouch Mark S. Mashuta Craig A. Grapperhaus

Inorganic Chemistry (2011) 50, 9904-9914

a=10.5684(8)Å b=12.4018(9)Å c=12.9434(6)Å

α=88.536(5)° β=85.552(5)° γ=74.111(6)°

[(2-(diphenylphosphine)thiaphenolato)(m-methylphenylethane -1,2-diylbis(thio-2,1-phenylene)diphenylphosphine)ruthenium(II)] hexafluorophosphate

2(C₆₃H₅₂P₃RuS₃)_,2(F₆P)_,3(CCl₂)

Kagna Ouch Mark S. Mashuta Craig A. Grapperhaus

Inorganic Chemistry (2011) 50, 9904-9914

a=10.5855(4)Å b=16.8551(5)Å c=17.7704(4)Å

α=90.00° β=104.576(3)° γ=90.00°

Bis(2-(diphenylphosphanyl)benzenethiolato) [2-(ethenylsulfanyl)phenyl] diphenylphosphine ruthenium(II)

2(C₅₆H₄₅P₃RuS₃)_,4(C₇H₈)_,C₇

Rajat Chauhan Mark S. Mashuta Craig A. Grapperhaus

Inorganic Chemistry (2012) 51, 7913-7920

a=11.2718(5)Å b=12.0524(3)Å c=23.6075(10)Å

α=101.715(3)° β=98.154(4)° γ=105.209(3)°