Structures published

Total: 509

1-Benzylpyrrolidine-2,5-dicarbonitrile

C₁₃H₁₃N₃

Ponugoti, Purushothama Rao Penthala, Narsimha Reddy Dwoskin, Linda P.Parkin, Sean Crooks, Peter A.

Acta Crystallographica Section E (2011) 67, 4 o747

a=10.9898(3)Å b=9.4494(2)Å c=11.4768(3)Å

α=90.00° β=103.0735(11)° γ=90.00°

(2Z,3E)-2-{[1-(4-Chlorobenzyl)-1H-indol-3- yl]methylidene}quinuclidin-3-one oxime

C₂₃H₂₂ClN₃O

Penthala, Narsimha Reddy Reddy, Thirupathi Reddy Yerram Parkin, Sean Crooks, Peter A.

Acta Crystallographica Section E (2011) 67, 3 o735

a=5.83820(10)Å b=10.7005(2)Å c=30.9451(6)Å

α=90.00° β=90.00° γ=90.00°

(S)-1-(2-Chlorophenyl)-2-oxocyclohexan-1-aminium D-tartrate

C₁₂H₁₅ClNO_,C₄H₅O₆

Hojahmat, Marhaba Zheng, Guangrong Siegler, Max Parkin, Sean Biermann, Manfred Crooks, Peter A.

Acta Crystallographica Section E (2011) 67, 3 o736

a=7.1411(2)Å b=9.9878(4)Å c=23.7530(11)Å

α=90.00° β=90.00° γ=90.00°

(2S,6S)-1-Methyl-2,6-trans-distyrylpiperidinium chloride

C₂₂H₂₆N_,Cl

Zheng, Guangrong Parkin, Sean Dwoskin, Linda P.Crooks, Peter A.

Acta Crystallographica Section E (2010) 66, 1 o78

a=9.9355(4)Å b=12.3075(5)Å c=15.8299(7)Å

α=90.00° β=90.00° γ=90.00°

1-Methyl-2,6-cis-distyrylpiperidine

C₂₂H₂₅N

Zheng, Guangrong Parkin, Sean Dwoskin, Linda P.Crooks, Peter A.

Acta Crystallographica Section E (2010) 66, 1 o77

a=17.3766(2)Å b=18.1774(6)Å c=5.5354(7)Å

α=90.00° β=90.00° γ=90.00°

(Z)-2-Amino-5-[2,4-dimethoxy-6-(4-methoxystyryl)benzylidene]-1,3- thiazol-4(5H)-one methanol solvate

C₂₁H₂₀N₂O₄S_,CH₄O

Madadi, Nikhil Reddy Reddy, Thirupathi Reddy Yerram Penthala, Narsimha Reddy Parkin, Sean Crooks, Peter A.

Acta Crystallographica Section E (2010) 66, 7 o1792

a=10.6243(2)Å b=22.2530(5)Å c=9.0562(2)Å

α=90.00° β=93.0280(10)° γ=90.00°

cis)-2,5-Bis(2-fluoro-5-methoxyphenethyl)pyrrolidinium formate

C₂₂H₂₈F₂NO_2,CHO₂

Ponugoti, Purushothama Rao Penthala, Narsimha Reddy Dwoskin, Linda P.Parkin, Sean Crooks, Peter A.

Acta Crystallographica Section E (2011) 67, 3 o737

a=7.83380(10)Å b=27.8759(3)Å c=29.3202(3)Å

α=90.00° β=90.00° γ=90.00°

cis-2,6-Dibenzylcyclohexanone

C₂₀H₂₂O

Culver, John P.Parkin, Sean Crooks, Peter A.

Acta Crystallographica Section E (2009) 65, 3 o551

a=30.1194(12)Å b=5.5650(2)Å c=9.3048(5)Å

α=90.00° β=98.276(2)° γ=90.00°

3-(2-Amino-1-methyl-4-oxo-4,5-dihydro-1H-imidazol-5-yl)-3-hydroxy-1- phenylindolin-2-one ethanol solvate

C₁₈H₁₆N₄O_3,C₂H₆O

Penthala, Narsimha Reddy Reddy, Thirupathi Reddy Yerram Parkin, Sean Crooks, Peter A.

Acta Crystallographica Section E (2009) 65, 10 o2439-o2440

a=7.49120(10)Å b=11.0018(2)Å c=12.0835(2)Å

α=78.1520(10)° β=74.4130(10)° γ=74.0900(10)°

3-(2-Amino-1-methyl-4-oxo-4,5-dihydro-1H-imidazol-5-yl)- 5-fluoro-3-hydroxy-1-methylindolin-2-one methanol hemisolvate

C₁₃H₁₃FN₄O_3,0.5(CH₄O)

Penthala, Narsimha Reddy Reddy, Thirupathi Reddy Yerram Parkin, Sean Crooks, Peter A.

Acta Crystallographica Section E (2009) 65, 11 o2909-o2910

a=14.3088(3)Å b=10.7900(2)Å c=18.1286(5)Å

α=90.00° β=107.6760(10)° γ=90.00°

Bis(tripyrazol-1-ylmethane)nickel(II) tetracyanidonickelate(II) dihydrate

C₂₀H₂₀N₁₂Ni_2,C₄N₄Ni_2,2(H₂O)

Lyubartseva, Ganna Parkin, Sean

Acta Crystallographica Section E (2009) 65, 12 m1530

a=8.4840(2)Å b=8.7355(2)Å c=10.7522(3)Å

α=75.5129(11)° β=75.2713(12)° γ=89.2534(12)°

1-Bromo-2,3,6-trichloro-4,5-dimethoxybenzene

C₈H₆BrCl₃O₂

Song, Yang Parkin, Sean Lehmler, Hans-Joachim

Acta Crystallographica Section E (2010) 66, 2 o487

a=7.7885(7)Å b=8.8600(7)Å c=9.1523(8)Å

α=62.256(3)° β=75.358(4)° γ=75.133(4)°

1-Bromo-4-chloro-2,5-dimethoxybenzene

C₈H₈BrClO₂

Song, Yang Parkin, Sean Lehmler, Hans-Joachim

Acta Crystallographica Section E (2010) 66, 2 o339

a=6.3804(7)Å b=8.2586(10)Å c=8.6337(11)Å

α=90.00° β=90.853(6)° γ=90.00°

1-Bromo-2-chloro-4,5-dimethoxybenzene

C₈H₈BrClO₂

Song, Yang Parkin, Sean Lehmler, Hans-Joachim

Acta Crystallographica Section E (2010) 66, 4 o813

a=9.9264(2)Å b=9.9410(2)Å c=19.7219(5)Å

α=75.9259(8)° β=75.9323(8)° γ=79.9479(10)°

1'-Ethylsulfanyl-1,1'-bicyclohexyl-2-one

C₁₄H₂₄O₁S₁

Sharma, Lalit Kumar Parkin, Sean Elliott, Gregory I.

Acta Crystallographica Section E (2010) 66, 4 o932

a=10.3662(2)Å b=11.2090(2)Å c=11.5026(2)Å

α=92.5786(8)° β=101.7513(8)° γ=90.2145(8)°

Tetraethylammonium (2,2'-bipyridine)tetracyanidocobaltate(III) sesquihydrate acetonitrile solvate

C₈H₂₀N_,C₁₄H₈CoN_6,C₂H₃N_,1.5(H₂O)

Lyubartseva, Ganna Parkin, Sean

Acta Crystallographica Section E (2010) 66, 4 m475-m476

a=10.15910(10)Å b=23.4015(3)Å c=11.3422(2)Å

α=90.00° β=97.3080(5)° γ=90.00°

Biphenyl-4-yl 2,2,2-trichloroethyl sulfate

C₁₄H₁₁Cl₃O₄S

Li, Xueshu Parkin, Sean Duffel, Michael W.Robertson, Larry W.Lehmler, Hans-Joachim

Acta Crystallographica Section E (2010) 66, 5 o1073

a=7.5761(2)Å b=5.8272(2)Å c=35.2679(11)Å

α=90.00° β=90.181(2)° γ=90.00°

(E,E)-1-Methyl-2,6-distyrylpyridinium iodide

C₂₂H₂₀N_,I

Penthala, Narsimha Reddy Eldridge, Joshua Reddy, Thirupathi Reddy Yerram Parkin, Sean Crooks, Peter A.

Acta Crystallographica Section E (2010) 66, 7 o1793

a=18.7309(4)Å b=9.5687(2)Å c=19.9829(4)Å

α=90.00° β=90.2790(10)° γ=90.00°

4'-Chlorobiphenyl-3-yl 2,2,2-trichloroethyl sulfate

C₁₄H₁₀Cl₄O₄S

Li, Xueshu Parkin, Sean Duffel, Michael W.Robertson, Larry W.Lehmler, Hans-Joachim

Acta Crystallographica Section E (2010) 66, 9 o2306

a=21.1900(3)Å b=5.85430(10)Å c=26.6803(5)Å

α=90.00° β=98.3040(10)° γ=90.00°

Dichloridobis(3,4,5-trimethyl-1H-pyrazole-κN^2^)cobalt(II)

C₁₂H₂₀Cl₂CoN₄

Lyubartseva, Ganna Parkin, Sean

Acta Crystallographica Section E (2010) 66, 9 m1134

a=14.88800(10)Å b=17.39800(10)Å c=24.9220(2)Å

α=90.00° β=90.00° γ=90.00°

3,4',5-Trichlorobiphenyl-4-yl 2,2,2-trichloroethyl sulfate

C₁₄H₈Cl₆O₄S

Lehmler, Hans-Joachim He, Xianran Duffel, Michael W.Parkin, Sean

Acta Crystallographica Section E (2013) 69, 4 o620

a=13.993(3)Å b=9.1890(18)Å c=28.778(6)Å

α=90.00° β=90.00° γ=90.00°

2,4-Dichloro-1-iodo-6-nitrobenzene

C₆H₂Cl₂INO₂

Li, Xueshu Parkin, Sean Lehmler, Hans-Joachim

Acta Crystallographica Section E (2014) 70, 5 o607

a=8.7760(5)Å b=6.8989(4)Å c=14.3518(8)Å

α=90° β=90° γ=90°

(Z)-3-(1H-Indol-3-yl)-2-(3,4,5-trimethoxyphenyl)acrylonitrile

C₂₀H₁₈N₂O₃

Penthala, Narsimha Reddy Parkin, Sean Crooks, Peter A.

Acta Crystallographica Section E (2012) 68, 3 o729

a=11.3384(4)Å b=21.1383(8)Å c=6.9570(3)Å

α=90.00° β=93.610(2)° γ=90.00°

(E)-13-(4-Aminophenyl)parthenolide

C₂₁H₂₅NO₃

Penthala, Narsimha Reddy Janganati, Venumadhav Parkin, Sean Varughese, Kottayil I.Crooks, Peter A.

Acta Crystallographica Section E (2013) 69, 11 o1709-o1710

a=8.56190(10)Å b=11.8846(2)Å c=17.7457(3)Å

α=90° β=90° γ=90°

13-(Imidazol-1-yl)-11,13-dihydromelampomagnolide B monohydrate

C₁₈H₂₄N₂O_4,H₂O

Janganati, Venumadhav Penthala, Narsimha Reddy Parkin, Sean Crooks, Peter A.

Acta Crystallographica Section E (2013) 69, 12 o1734-o1735

a=9.8073(2)Å b=8.27840(10)Å c=10.7741(2)Å

α=90° β=95.0150(10)° γ=90°

13-(N,N-Dimethylamino)micheliolide 0.08-hydrate

C₁₇H₂₇NO_3,0.08(H₂O)

Bommagani, Shobanbabu Penthala, Narsimha Reddy Janganati, Venumadhav Parkin, Sean Crooks, Peter A.

Acta Crystallographica Section E (2013) 69, 12 o1789-o1790

a=9.1329(2)Å b=10.5227(2)Å c=16.7194(3)Å

α=90° β=90° γ=90°

Bis[1-methoxy-2,2,2-tris(pyrazol-1-yl-κN^2^)ethane]nickel(II) bis(trifluoromethanesulfonate) methanol disolvate

C₂₄H₂₈N₁₂NiO₂₂_,2(CF₃O₃S)_,2(CH₄O)

Lyubartseva, Ganna Parkin, Sean Mallik, Uma Prasad

Acta Crystallographica Section E (2013) 69, 10 m537

a=9.0025(2)Å b=9.5921(2)Å c=11.9914(2)Å

α=105.2683(8)° β=103.4796(8)° γ=102.2596(8)°

Bis[1-methoxy-2,2,2-tris(pyrazol-1-yl-κN^2^)ethane]nickel(II) bis(trifluoromethanesulfonate) dihydrate

C₂₄H₂₈N₁₂NiO_22,2(CF₃O₃S)_,2(H₂O)

Lyubartseva, Ganna Parkin, Sean Mallik, Uma Prasad

Acta Crystallographica Section E (2013) 69, 10 m532-m533

a=8.5582(2)Å b=9.6515(2)Å c=12.2347(2)Å

α=110.3990(10)° β=103.6650(10)° γ=97.3170(10)°

Bis[tris(1H-pyrazol-1-yl-κN^2^)methane]nickel(II) bis{[tris(1H-pyrazol-1-yl-κN^2^)methane]tris(thiocyanato- κN)nickelate(II)} methanol disolvate

Ni(C₁₀H₁₀N₆)_22,2Ni(CNS)₃(C₁₀H₁₀N₆)_,2CH₄O

Lyubartseva, Ganna Parkin, Sean Mallik, Uma Prasad

Acta Crystallographica Section E (2011) 67, 12 m1656-m1657

a=33.4463(8)Å b=7.3287(2)Å c=27.2689(7)Å

α=90.00° β=112.5900(10)° γ=90.00°

(Z)-2-{2,4-Dimethoxy-6-[(E)-4- methoxystyryl]benzylidene}quinuclidin-3-one

C₂₅H₂₇NO₄

Madadi, Nikhil Reddy Parkin, Sean Crooks, Peter A.

Acta Crystallographica Section E (2012) 68, 3 o730

a=36.10680(10)Å b=6.87480(10)Å c=8.4813(4)Å

α=90.00° β=90.00° γ=90.00°

Tetraethylammonium tris(thiocyanato-κN)[tris(1H-pyrazol-1-yl- κN^2^)methane]nickelate(II)

C₈H₂₀N_,C₁₃H₁₀N₉NiS₃

Lyubartseva, Ganna Parkin, Sean Mallik, Uma Prasad Jeon, Hee Kyung

Acta Crystallographica Section E (2012) 68, 7 m888

a=31.7117(12)Å b=7.4378(3)Å c=24.7885(9)Å

α=90.00° β=110.592(2)° γ=90.00°

Bis[tris(3,5-dimethyl-1H-pyrazol-1-yl-κN^2^)methyl]sodium trifluoromethanesulfonate

C₃₂H₄₄N₁₂Na_,CF₃O₃S

Lyubartseva, Ganna Parkin, Sean Mallik, Uma Prasad

Acta Crystallographica Section E (2012) 68, 7 m973

a=9.05790(10)Å b=12.57330(10)Å c=16.4386(2)Å

α=90.00° β=90.5917(4)° γ=90.00°

rac-(Z)-Methyl 1-benzyl-3-[(3-hydroxyquinuclidin-2-ylidene)methyl]-1H-indole-6- carboxylate

C₂₅H₂₆N₂O₃

Penthala, Narsimha Reddy Ponugoti, Purushotham Rao Parkin, Sean Crooks, Peter A.

Acta Crystallographica Section E (2012) 68, 11 o3111

a=6.16190(10)Å b=10.3119(2)Å c=16.5959(3)Å

α=75.6705(7)° β=80.0939(7)° γ=85.9410(7)°

Melampomagnolide B

C₁₉H₂₄O₇

Janganati, Venumadhav Penthala, Narsimha Reddy Madadi, Nikhil Reddy Parkin, Sean Crooks, Peter A.

Acta Crystallographica Section E (2014) 70, 3 o372-o373

a=8.7866(2)Å b=9.6082(2)Å c=21.0088(5)Å

α=90° β=90° γ=90°

5,5'-Dichloro-2,2'-dimethoxybiphenyl

C₁₄H₁₂Cl₂O₂

Lehmler, Hans-Joachim Wu, Huimin Parkin, Sean

Acta Crystallographica Section E (2013) 69, 5 o650

a=10.9629(2)Å b=7.21770(10)Å c=16.7812(3)Å

α=90.00° β=104.7108(7)° γ=90.00°

2,2',5',6-Tetrachloro-4-[(1S)-1-methylpropoxy]biphenyl

C₁₆H₁₄Cl₄O

Lehmler, Hans-Joachim Wu, Huimin Parkin, Sean

Acta Crystallographica Section E (2013) 69, 6 o983

a=10.3301(2)Å b=10.5415(2)Å c=15.2160(3)Å

α=90.00° β=90.00° γ=90.00°

(E)-13-(2-Bromophenyl)micheliolide

C₂₁H₂₃BrO₃

Penthala, Narsimha Reddy Bommagani, Shobanbabu Janganati, Venumadhav Parkin, Sean Crooks, Peter A.

Acta Crystallographica Section E (2014) 70, 3 o251-o252

a=7.16170(10)Å b=13.1615(2)Å c=19.2306(3)Å

α=90° β=90° γ=90°

1-Methoxy-2,2,2-tris(pyrazol-1-yl)ethane

C₁₂H₁₄N₆O

Lyubartseva, Ganna Parkin, Sean Coleman, Morgan D.Mallik, Uma Prasad

Acta Crystallographica Section E (2014) 70, 9 o1047-o1048

a=12.5828(3)Å b=12.3847(3)Å c=8.4807(2)Å

α=90° β=102.5635(11)° γ=90°

(E)-13-{4-[(Z)-2-Cyano-2-(3,4,5-\ trimethoxyphenyl)ethenyl]phenyl}parthenolide methanol hemisolvate

C₃₃H₃₅NO_6,0.5(CH₄O)

Penthala, Narsimha Reddy Bommagani, Shobanbabu Janganati, Venumadhav Parkin, Sean Crooks, Peter A.

Acta Crystallographica Section E (2014) 70, 10 o1092-o1093

a=9.3347(2)Å b=16.2442(3)Å c=19.2580(4)Å

α=90° β=90° γ=90°

C₅₆H₇₀S₈

Burnett, Edmund K.Cherniawski, Benjamin P.Rosa, Stephen J.Smilgies, Detlef-M.Parkin, Sean Briseno, Alejandro L.

Chemistry of Materials (2018) 30, 8 2550

a=9.9128(2)Å b=17.3598(4)Å c=30.5931(8)Å

α=90° β=96.851(1)° γ=90°

C₆₄H₈₆S₈

Burnett, Edmund K.Cherniawski, Benjamin P.Rosa, Stephen J.Smilgies, Detlef-M.Parkin, Sean Briseno, Alejandro L.

Chemistry of Materials (2018) 30, 8 2550

a=9.8832(3)Å b=17.3710(5)Å c=34.8132(10)Å

α=90° β=91.6550(15)° γ=90°

C₇₂H₁₀₂S₈

Burnett, Edmund K.Cherniawski, Benjamin P.Rosa, Stephen J.Smilgies, Detlef-M.Parkin, Sean Briseno, Alejandro L.

Chemistry of Materials (2018) 30, 8 2550

a=9.9871(3)Å b=17.3749(5)Å c=38.6301(11)Å

α=90° β=90.4220(12)° γ=90°

CoO₂Pd

Li, Guowei Khim, Seunghyun Chang, Celesta S.Fu, Chenguang Nandi, Nabhanila Li, Fan Yang, Qun Blake, Graeme R.Parkin, Stuart Auffermann, Gudrun Sun, Yan Muller, David A.Mackenzie, Andrew P.Felser, Claudia

ACS energy letters (2019) 4, 9 2185-2191

a=2.845(3)Å b=2.845(3)Å c=17.880(16)Å

α=90° β=90° γ=120°

C₄₄H₄₀Si_2,0.5(C₇₀)

Gao, Guangpeng Chen, Meng Roberts, Josiah Feng, Meng Xiao, Chengyi Zhang, Guowei Parkin, Sean Risko, Chad Zhang, Lei

Journal of the American Chemical Society (2020)

a=15.31234(6)Å b=13.83765(6)Å c=23.82042(13)Å

α=90° β=98.3057(4)° γ=90°

C₄₄H₄₀Si₂

Gao, Guangpeng Chen, Meng Roberts, Josiah Feng, Meng Xiao, Chengyi Zhang, Guowei Parkin, Sean Risko, Chad Zhang, Lei

Journal of the American Chemical Society (2020)

a=20.2079(6)Å b=22.8871(6)Å c=7.4713(2)Å

α=90° β=90° γ=90°

C₅₈H_56,C₇H₈

Gao, Guangpeng Chen, Meng Roberts, Josiah Feng, Meng Xiao, Chengyi Zhang, Guowei Parkin, Sean Risko, Chad Zhang, Lei

Journal of the American Chemical Society (2020)

a=17.30070(10)Å b=18.60490(10)Å c=31.7768(2)Å

α=90° β=102.4750(10)° γ=90°

C₄₄H₄₂Cl₂Si₂

Gao, Guangpeng Chen, Meng Roberts, Josiah Feng, Meng Xiao, Chengyi Zhang, Guowei Parkin, Sean Risko, Chad Zhang, Lei

Journal of the American Chemical Society (2020)

a=11.8645(2)Å b=24.6120(3)Å c=14.0385(2)Å

α=90° β=112.963(2)° γ=90°

C₅₈H₅₈Cl₂

Gao, Guangpeng Chen, Meng Roberts, Josiah Feng, Meng Xiao, Chengyi Zhang, Guowei Parkin, Sean Risko, Chad Zhang, Lei

Journal of the American Chemical Society (2020)

a=17.8903(5)Å b=18.0868(4)Å c=30.1101(8)Å

α=90° β=90° γ=90°

4-Chloro-biphenyl-2,5-diol

C₁₂H₉ClO₂

Yang Song Garry R. Buettner Sean Parkin Brett A. Wagner Larry W. Robertson Hans-Joachim Lehmler

Journal of Organic Chemistry (2008) 73, 8296-8304

a=7.4814(2)Å b=11.3273(3)Å c=11.7221(3)Å

α=90.00° β=97.0036(11)° γ=90.00°

3,6,4'-Trichloro-biphenyl-2,5-diol

C₁₂H₇Cl₃O₂

Yang Song Garry R. Buettner Sean Parkin Brett A. Wagner Larry W. Robertson Hans-Joachim Lehmler

Journal of Organic Chemistry (2008) 73, 8296-8304

a=9.2876(4)Å b=9.0426(4)Å c=13.8328(7)Å

α=90.00° β=98.896(2)° γ=90.00°

2-Bromo-3,6-dichloro-4-methoxy-phenol

C₇H₅BrCl₂O₂

Yang Song Garry R. Buettner Sean Parkin Brett A. Wagner Larry W. Robertson Hans-Joachim Lehmler

Journal of Organic Chemistry (2008) 73, 8296-8304

a=8.10327(10)Å b=9.2723(2)Å c=12.0905(2)Å

α=85.8672(8)° β=75.3724(8)° γ=81.0843(8)°

5-(4-methoxymethyl-2,5-dimethylthiophen-3-ylmethyl)-2,2 -dimethyl[1,3]dioxane-4,6-dione

C₁₅H₂₀O₅S

Chad A. Snyder John P. Selegue Eniolami Dosunmu Nathan C. Tice Sean Parkin

Journal of Organic Chemistry (2003) 68, 7455-7459

a=11.5470(5)Å b=9.8590(5)Å c=14.0290(6)Å

α=90.00° β=105.410(3)° γ=90.00°

1,3,7,7-tetramethyl-4H,10H-6,8,9-trioxa-2-thiabenzo[f]azulen-5-one

C₁₄H₁₆O₄S

Chad A. Snyder John P. Selegue Eniolami Dosunmu Nathan C. Tice Sean Parkin

Journal of Organic Chemistry (2003) 68, 7455-7459

a=7.8120(6)Å b=8.7760(6)Å c=10.5470(8)Å

α=106.086(4)° β=94.886(4)° γ=108.224(4)°

1,3-dimethyl-6-oxo-7,8-dihydro-4H,6H- thieno[3,4-c]oxepine-7-carboxylic acid tert-butyl ester

C₁₅H₂₀O₄S

Chad A. Snyder John P. Selegue Eniolami Dosunmu Nathan C. Tice Sean Parkin

Journal of Organic Chemistry (2003) 68, 7455-7459

a=23.1010(5)Å b=5.8010(2)Å c=11.3580(10)Å

α=90.00° β=99.350(2)° γ=90.00°

1,3-dimethyl-7,8-dihydro-4H-thieno[3,4-c]oxepin-6-one

C₁₀H₁₂O₂S

Chad A. Snyder John P. Selegue Eniolami Dosunmu Nathan C. Tice Sean Parkin

Journal of Organic Chemistry (2003) 68, 7455-7459

a=6.0917(12)Å b=15.484(3)Å c=9.968(2)Å

α=90.00° β=99.72(3)° γ=90.00°