Crystallography Open Database

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2015528 CIF
HKL
Paper
C8 H7 In O6F d d 211.915; 42.205; 7.3069
90; 90; 90
3674.4Yu-Ling Wang; Qing-Yan Liu; Sheng-Liang Zhong
Poly[aqua(μ~3~-benzene-1,2-dicarboxylato)(μ~2~-hydroxo)indium(III)]
Acta Crystallographica Section C, 2006, 62, m395-m397
2015529 CIF
HKL
Paper
C6 H24 Ba2 N2 Ni O24P -17.1193; 9.3307; 9.8866
110.428; 104.24; 95.622
584.19Guo, Ming-Lin; Cao, Hong-Xia
Poly[tetra-μ-aqua-hexaaquadi-μ~3~-malonato-dinitratodibarium(II)nickel(II)]
Acta Crystallographica Section C, 2006, 62, m431-m433
2015530 CIF
HKL
Paper
Al2.67 O4F d -3 m :27.9382; 7.9382; 7.9382
90; 90; 90
500.226Ľubomír Smrčok; Vratislav Langer; Jan Křesťan
γ-Alumina: a single-crystal X-ray diffraction study
Acta Crystallographica Section C, 2006, 62, i83-i84
2015531 CIF
HKL
Paper
C H2 Cl3 Na O4 SP 1 21/a 110.727; 5.828; 12.613
90; 103.24; 90
767.6Damian, Emiliana; Eriksson, Lars; Sandström, Magnus
Sodium trichloromethanesulfonate monohydrate
Acta Crystallographica Section C, 2006, 62, m419-m420
2015532 CIF
Paper
H6 Mn O6 SP n m a9.7577; 5.6319; 9.5579
90; 90; 90
525.25M. Enriqueta Díaz de Vivar; Sergio Baggio; María Teresa Garland; Ricardo Baggio
Triaquamanganese sulfite revisited
Acta Crystallographica, Section C, 2006, 62, i79-i82
2015533 CIF
Paper
H6 Mn O6 SP 21 21 219.7577; 5.6319; 9.5579
90; 90; 90
525.25M. Enriqueta Díaz de Vivar; Sergio Baggio; María Teresa Garland; Ricardo Baggio
Triaquamanganese sulfite revisited
Acta Crystallographica, Section C, 2006, 62, i79-i82
2015534 CIF
Paper
C36 H32 N2 O0.66 P2 Ru S2P 1 21/n 111.452; 22.39; 12.871
90; 91.661; 90
3298.87Von Poelhsitz, G.; Rodrigues, B. L.; Batista, A. A.
Partially oxidized ruthenium phosphine thiolates: [Ru(pySO~2~)~0.33~(pyS)~1.67~(dppe)] and [Ru(pySO~2~)~0.355~(pyS)~1.645~(dppp)]
Acta Crystallographica Section C, 2006, 62, m424-m427
2015535 CIF
Paper
C37 H34 N2 O0.71 P2 Ru S2P -18.818; 10.245; 20.136
83.16; 81.36; 70.12
1686.7Von Poelhsitz, G.; Rodrigues, B. L.; Batista, A. A.
Partially oxidized ruthenium phosphine thiolates: [Ru(pySO~2~)~0.33~(pyS)~1.67~(dppe)] and [Ru(pySO~2~)~0.355~(pyS)~1.645~(dppp)]
Acta Crystallographica Section C, 2006, 62, m424-m427
2015536 CIF
HKL
Paper
C45 H31 N5 O9 Pb2P 1 21/c 117.2481; 20.6393; 11.5549
90; 101.167; 90
4035.5Zhu, Long-Guan
A one-dimensional mixed-anion lead(II) coordination polymer: <i>catena</i>-poly[[(1,10-phenanthroline)lead(II)]-μ-benzoato-μ-nitrato-[(1,10-phenanthroline)lead(II)]-di-μ-benzoato]
Acta Crystallographica Section C, 2006, 62, m428-m430
2015537 CIF
Paper
C6 H14 N4 O4 S2P -16.101; 7.6447; 8.4463
66.239; 70.516; 67.479
325.48R. Chitra; Pascal Roussel; R. R. Choudhury
Host‒guest interaction in a thiourea‒dimethyl oxalate (2/1) complex at 300 and 100K
Acta Crystallographica Section C, 2006, 62, o547-o549
2015538 CIF
Paper
C6 H14 N4 O4 S2P -16.03; 7.511; 8.414
65.613; 70.475; 66.168
311.01R. Chitra; Pascal Roussel; R. R. Choudhury
Host‒guest interaction in a thiourea‒dimethyl oxalate (2/1) complex at 300 and 100K
Acta Crystallographica Section C, 2006, 62, o547-o549
2015539 CIF
HKL
Paper
C18 H16 Cu N2 O4P 1 21/c 16.6044; 9.2107; 13.95
90; 101.217; 90
832.4Domasevitch, Konstantin V.; Vreshch, Volodimir D.; Lysenko, Andrey B.; Krautscheid, Harald
Two-dimensional square-grid frameworks formed by self-associating copper(II) complexes with 1-(3-pyridyl)- and 1-(4-pyridyl)-substituted butane-1,3-diones
Acta Crystallographica Section C, 2006, 62, m443-m447
2015540 CIF
HKL
Paper
C19 H20 Cu N2 O5P 1 21/c 111.3492; 14.1993; 12.1291
90; 96.41; 90
1942.4Domasevitch, Konstantin V.; Vreshch, Volodimir D.; Lysenko, Andrey B.; Krautscheid, Harald
Two-dimensional square-grid frameworks formed by self-associating copper(II) complexes with 1-(3-pyridyl)- and 1-(4-pyridyl)-substituted butane-1,3-diones
Acta Crystallographica Section C, 2006, 62, m443-m447
2015541 CIF
HKL
Paper
C3 H10 Cd N O7 PC 1 c 19.827; 4.9326; 16.795
90; 93.91; 90
812.2Deng, Qian-Jun; Zeng, Ming-Hua; Liang, Hong; Huang, Ke-Long
Poly[[diaquacadmium(II)]-μ~4~-[<i>N</i>-(phosphonatomethyl)ammonio]acetato]
Acta Crystallographica Section C, 2006, 62, m389-m391
2015542 CIF
HKL
Paper
C11 H12 N4 O9P 1 21 110.909; 5.352; 12.474
90; 109.142; 90
688K. Anitha; S. Athimoolam; S. Natarajan
<small>L</small>-Prolinium picrate and 2-methylpyridinium picrate
Acta Crystallographica Section C, 2006, 62, o567-o570
2015543 CIF
HKL
Paper
C12 H10 N4 O7P -18.211; 11.806; 14.388
85.428; 82.863; 79.726
1359.4K. Anitha; S. Athimoolam; S. Natarajan
<small>L</small>-Prolinium picrate and 2-methylpyridinium picrate
Acta Crystallographica Section C, 2006, 62, o567-o570
2015544 CIF
HKL
Paper
C11 H10 N2 OP 1 21/n 113.3968; 5.0656; 14.3402
90; 108.027; 90
925.39Vratislav Langer; Eva Scholtzová; Pavel Mach; Tomáš Solčan; Ľubomír Smrčok
2-Anilinomethylene-3-oxobutanenitrile: an X-ray and density functional theory study
Acta Crystallographica Section C, 2006, 62, o544-o546
2015545 CIF
Paper
I2 Li O8 VP 1 21/c 19.994; 5.202; 13.798
90; 118.28; 90
631.7Chen, Xue-An; Zhang, Li; Chang, Xin-An; Zang, He-Gui; Xiao, Wei-Qiang
Lithium dioxobis[trioxoiodato(V)]vanadate, Li[VO~2~(IO~3~)~2~]
Acta Crystallographica Section C, 2006, 62, i76-i78
2015546 CIF
Paper
C86 H86 F12 Mn N4 O8 Si2P 1 21/n 114.784; 13.402; 21.084
90; 104.88; 90
4037.4Roques, Nans; Gerbier, Philippe; Imaz, Inhar; Guionneau, Philippe; Sutter, Jean-Pascal
{2,5-Bis[3-(<i>tert</i>-butylaminoxyl)phenyl]-1,1-dimethyl-3,4-diphenylsilole-κ<i>O</i>}bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato)manganese(II)
Acta Crystallographica Section C, 2006, 62, m386-m388
2015547 CIF
Paper
C27 H42 I5 N15P 1 21/c 112.357; 10.3185; 31.305
90; 93.876; 90
3982.4Day, Elizabeth F.; Dean, Norman S.; Franz, Andreas H.
Tris(1,9-diethyladeninium) triiodide diiodide
Acta Crystallographica Section C, 2006, 62, o571-o573
2015548 CIF
Paper
C18 H18 F N OP -18.3005; 9.6401; 10.04
66.154; 79.666; 79.88
718.11K. Ravikumar; B. Sridhar; M. Mahesh; V. V. Narayana Reddy
Imino Diels‒Alder adducts. XII. Two pyrano[3,2-<i>c</i>]quinolines
Acta Crystallographica Section C, 2006, 62, o574-o576
2015549 CIF
Paper
C19 H21 N OP -18.2596; 10.0084; 10.1134
66.435; 81.927; 77.141
745.85K. Ravikumar; B. Sridhar; M. Mahesh; V. V. Narayana Reddy
Imino Diels‒Alder adducts. XII. Two pyrano[3,2-<i>c</i>]quinolines
Acta Crystallographica Section C, 2006, 62, o574-o576
2015550 CIF
HKL
Paper
C72 H76 N8 O8 Rh2P -110.049; 12.752; 13.479
98.641; 90.781; 99.424
1683.3Ebihara, Masahiro; Yamada, Kaori; Kawamura, Takashi
Paddlewheel dirhodium complexes bridged by <i>para</i>-substituted benzoates
Acta Crystallographica Section C, 2006, 62, m451-m454
2015551 CIF
HKL
Paper
C35 H27 Cl2 N5 O17 Rh2P -112.75; 13.29; 14.773
96.55; 109.42; 118.43
1961Ebihara, Masahiro; Yamada, Kaori; Kawamura, Takashi
Paddlewheel dirhodium complexes bridged by <i>para</i>-substituted benzoates
Acta Crystallographica Section C, 2006, 62, m451-m454
2015552 CIF
HKL
Paper
C10 H6 Cl2 F12 N4 O PdP 1 21/n 112.5046; 8.1964; 18.3119
90; 96.48; 90
1864.85Spencer, Lara C.; Guzei, Ilia A.; Ojwach, Stephen O.; Darkwa, James
<i>trans</i>-Bis[3,5-bis(trifluoromethyl)-1<i>H</i>-pyrazole-κ<i>N</i>^2^]dichloropalladium(II) monohydrate
Acta Crystallographica Section C, 2006, 62, m421-m423
2015553 CIF
HKL
Paper
C26 H22 N2 O4C 1 c 134.7194; 6.0462; 10.0042
90; 93.975; 90
2095.03Lin-Hai Jing; Da-Bin Qin; Shao-Jin Gu; Huan-Xia Zhang; Gang Lei
<i>N</i>,<i>N</i>'-Bis(2-methoxyphenyl)naphthalene-1,4-dicarboxamide
Acta Crystallographica Section C, 2006, 62, o561-o562
2015554 CIF
HKL
Paper
C28 H27 Cl N2 O4P 1 21 110.557; 7.682; 14.376
90; 98.47; 90
1153.2Agata Białońska; Zbigniew Ciunik
Isomorphous crystals of strychninium 4-chlorobenzoate and strychninium 4-nitrobenzoate
Acta Crystallographica Section C, 2006, 62, o537-o539
2015555 CIF
HKL
Paper
C28 H27 N3 O6P 1 21 110.976; 7.545; 14.187
90; 98.29; 90
1162.6Agata Białońska; Zbigniew Ciunik
Isomorphous crystals of strychninium 4-chlorobenzoate and strychninium 4-nitrobenzoate
Acta Crystallographica Section C, 2006, 62, o537-o539
2015556 CIF
HKL
Paper
C3 H16 N2 O14 Se4 Zn3P 1 21/m 14.9345; 22.9848; 8.3987
90; 104.623; 90
921.71Ritchie, Lyndsey K.; Harrison, William T. A.
Poly[propane-1,3-diyldiammonium tetra-μ-selenito-trizinc dihydrate]
Acta Crystallographica Section C, 2006, 62, m413-m415
2015557 CIF
HKL
Paper
C20 H19 Fe N O2P -19.768; 10.804; 16.244
91.39; 97.05; 99.22
1677.7Yao-Cheng Shi; Su-Hua Zhang; Hong-Jian Cheng; Wei-Ping Sun
(<i>Z</i>)-1-Ferrocenyl-3-(3-hydroxyanilino)but-2-en-1-one and (<i>Z</i>)-1-ferrocenyl-3-(4-hydroxyanilino)but-2-en-1-one
Acta Crystallographica Section C, 2006, 62, m407-m410
2015558 CIF
HKL
Paper
C20 H19 Fe N O2P -17.41; 14.687; 15.5601
80.37; 77.677; 86.297
1630.4Yao-Cheng Shi; Su-Hua Zhang; Hong-Jian Cheng; Wei-Ping Sun
(<i>Z</i>)-1-Ferrocenyl-3-(3-hydroxyanilino)but-2-en-1-one and (<i>Z</i>)-1-ferrocenyl-3-(4-hydroxyanilino)but-2-en-1-one
Acta Crystallographica Section C, 2006, 62, m407-m410
2015559 CIF
HKL
Paper
C11 H9 Ag F3 N3 O3 SP 1 21/n 110.9077; 9.961; 13.2994
90; 107.223; 90
1380.21Jones, Peter G.; Crespo, Olga; Gimeno, M. Concepción; Laguna, Antonio
<i>catena</i>-Poly[[(trifluoromethanesulfonato-κ<i>O</i>)silver(I)]-μ-di-2-pyridylamine-κ^2^<i>N</i>^2^:<i>N</i>^2'^], a chain polymer with short Ag···C contacts
Acta Crystallographica Section C, 2006, 62, m411-m412
2015560 CIF
HKL
Paper
C28 H47 B2 F8 Fe N5 O5C 1 2/c 124.4575; 12.7827; 14.5598
90; 126.323; 90
3667.4Colin A. Kilner; Malcolm A. Halcrow
An unusual example of a linearly coordinated acetone ligand in a six-coordinate iron(II) complex
Acta Crystallographica Section C, 2006, 62, m437-m439
2015561 CIF
HKL
Paper
C16 H14 Br NP 1 21/n 19.7924; 14.8921; 10.0937
90; 113.392; 90
1350.98Calderón, Guillermo; Jaramillo-Gómez, Luz Marina; Torre, José M. de la; Cobo, Justo; Low, John N.; Glidewell, Christopher
Hydrogen-bonded chains in racemic 2-benzyl-3-(2-bromophenyl)propiononitrile and hydrogen-bonded sheets in methyl 2-benzyl-2-cyano-3-phenylpropionate
Acta Crystallographica Section C, 2006, 62, o583-o586
2015562 CIF
HKL
Paper
C18 H17 N O2P 21 21 219.2; 9.328; 18.3031
90; 90; 90
1570.73Calderón, Guillermo; Jaramillo-Gómez, Luz Marina; Torre, José M. de la; Cobo, Justo; Low, John N.; Glidewell, Christopher
Hydrogen-bonded chains in racemic 2-benzyl-3-(2-bromophenyl)propiononitrile and hydrogen-bonded sheets in methyl 2-benzyl-2-cyano-3-phenylpropionate
Acta Crystallographica Section C, 2006, 62, o583-o586
2015563 CIF
HKL
Paper
C8 H22 O16 SrP 21 21 217.166; 15.365; 15.818
90; 90; 90
1741.7Matos Gomes, E.; Rodrigues, V. H.; Costa, M.M.R.R.; Nogueira, E.; Belsley, M. S.
Supramolecular structure and second harmonic generation in strontium bis(hydrogen <small>L</small>-malate) hexahydrate
Acta Crystallographica Section C, 2006, 62, m416-m418
2015564 CIF
HKL
Paper
C24 H33 N3 O7P 1 21 18.922; 15.208; 18.692
90; 91.523; 90
2535.3Mitsunobu Doi; Kumiko Imori; Noriko Sakaguchi; Akiko Asano
Boc‒Pro‒Hyp‒Gly‒OBzl and Boc‒Ala‒Hyp‒Gly‒OBzl, two repeating triplets found in collagen
Acta Crystallographica Section C, 2006, 62, o577-o580
2015565 CIF
HKL
Paper
C22 H31 N3 O7P 15.8816; 10.6294; 19.707
75.24; 82.56; 81.78
1173.56Mitsunobu Doi; Kumiko Imori; Noriko Sakaguchi; Akiko Asano
Boc‒Pro‒Hyp‒Gly‒OBzl and Boc‒Ala‒Hyp‒Gly‒OBzl, two repeating triplets found in collagen
Acta Crystallographica Section C, 2006, 62, o577-o580
2015566 CIF
HKL
Paper
C20 H22 Cu N4 O8 S2P 1 21/c 110.7385; 9.1792; 12.5005
90; 104.892; 90
1190.8Dege, Necmi; İçbudak, Hasan; Adıyaman, Elif
Bis(acesulfamato-κ^2^<i>O</i>^4^,<i>N</i>)bis(3-methylpyridine)copper(II)
Acta Crystallographica Section C, 2006, 62, m401-m403
2015567 CIF
HKL
Paper
C10 H12 N2 O2P b c a10.146; 7.3091; 25.1662
90; 90; 90
1866.28Hamdellou, Lamine; Hernandez, Olivier; Meinnel, Jean
4-Dimethylamino-β-nitrostyrene and 4-dimethylamino-β-ethyl-β-nitrostyrene at 100 K
Acta Crystallographica Section C, 2006, 62, o557-o560
2015568 CIF
HKL
Paper
C12 H16 N2 O2P 21 21 215.9641; 8.4492; 23.14
90; 90; 90
1166.07Hamdellou, Lamine; Hernandez, Olivier; Meinnel, Jean
4-Dimethylamino-β-nitrostyrene and 4-dimethylamino-β-ethyl-β-nitrostyrene at 100 K
Acta Crystallographica Section C, 2006, 62, o557-o560
2015569 CIF
HKL
Paper
C12 H20 Co N2 O9 SP 1 21/n 17.5232; 11.7458; 19.475
90; 98.671; 90
1701.3Wen-Jie Lu; Yi-Min Zhu; Kai-Long Zhong
<i>catena</i>-Poly[[[triaquasulfatocobalt(II)]-μ-4,4'-bipyridine] ethane-1,2-diol solvate]
Acta Crystallographica Section C, 2006, 62, m448-m450
2015570 CIF
HKL
Paper
B6 Ba3 O12R 3 c :H12.531; 12.531; 12.721
90; 90; 120
1729.9Shao-Fang Lu; Zi-Xiang Huang; Jin-Ling Huang
Meta-barium borate, II-BaB~2~O~4~, at 163 and 293K
Acta Crystallographica Section C, 2006, 62, i73-i75
2015571 CIF
HKL
Paper
B6 Ba3 O12R 3 c :H12.53; 12.53; 12.657
90; 90; 120
1720.9Shao-Fang Lu; Zi-Xiang Huang; Jin-Ling Huang
Meta-barium borate, II-BaB~2~O~4~, at 163 and 293K
Acta Crystallographica Section C, 2006, 62, i73-i75
2015572 CIF
HKL
Paper
C48 H32 Cu N6 O6C 1 2/c 120.337; 17.7445; 12.7349
90; 124.35; 90
3794.2Yanko Moreno; Patricio Hermosilla; María Teresa Garland; Octavio Peña; Ricardo Baggio
An unusual eight-coordinated copper complex: bis(4,7-diphenyl-1,10-phenanthroline)dinitratocopper(II)
Acta Crystallographica Section C, 2006, 62, m404-m406
2015573 CIF
HKL
Paper
C24 H14 F2 N2 O2P -17.572; 9.337; 14.027
80.546; 86.71; 81.598
967.2Chopra, Deepak; Mohan, T. P.; Vishalakshi, B; T. N. Guru Row
4-(4-Fluoro-3-phenoxyphenyl)-6-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile and the 6-(4-methylphenyl)- analogue
Acta Crystallographica Section C, 2006, 62, o540-o543
2015574 CIF
HKL
Paper
C25 H17 F N2 O2P -17.828; 9.523; 13.952
76.46; 87.25; 83.705
1004.8Chopra, Deepak; Mohan, T. P.; Vishalakshi, B; T. N. Guru Row
4-(4-Fluoro-3-phenoxyphenyl)-6-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile and the 6-(4-methylphenyl)- analogue
Acta Crystallographica Section C, 2006, 62, o540-o543
2015575 CIF
HKL
Paper
C19 H16 Cd N2 O6P 21 21 216.799; 15.834; 16.441
90; 90; 90
1770Yang, Yan; Zeng, Ming-Hua; Meng, Fa-Yan; Liang, Hong
<i>catena</i>-Poly[[aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cadmium(II)]-μ-4-carboxylatophenoxyacetato-κ^3^<i>O</i>:<i>O</i>^4^,<i>O</i>^4'^]
Acta Crystallographica Section C, 2006, 62, m392-m394
2015576 CIF
HKL
Paper
C27 H24 N4P 1 21/n 112.4071; 7.9834; 21.376
90; 98.041; 90
2096.5Abhijit Mitra; Pamela J. Seaton; Kraig A. Wheeler
<i>N</i>-(2-Aminobenzyl)-<i>N</i>,<i>N</i>-bis(quinolin-2-ylmethyl)amine
Acta Crystallographica Section C, 2006, 62, o581-o582
2015577 CIF
HKL
Paper
C11 H5.66 D16 N2 O2.33P -110.694; 11.712; 16.048
109.351; 101.678; 90.325
1851.41Duskova, Jarmila; Jiri Labsky; Ivana Cisarova; Tereza Skalova; Jan Dohnalek; Jindrich Hasek
4-Acetamido-3,3,5,5-[^2^H~4~]-2,2,6,6-tetra([^2^H~3~]methyl)piperidin-1-yloxyl 0.33-hydrate
Acta Crystallographica Section C, 2006, 62, o563-o566
2015578 CIF
HKL
Paper
C16 H15 N O3 SP 1 21/c 122.5423; 8.4647; 7.4243
90; 91.51; 90
1416.17Cobo, Debora; Quiroga, Jairo; Torre, José M. de la; Cobo, Justo; Low, John N.; Glidewell, Christopher
Three substituted (<i>E</i>)-3-aryl-2-(thienyl)acrylonitriles: isolated molecules, simple hydrogen-bonded chains and hydrogen-bonded sheets
Acta Crystallographica Section C, 2006, 62, o550-o553
2015579 CIF
HKL
Paper
C13 H8 Br N SP 1 21/n 13.8557; 24.0484; 12.5466
90; 96.877; 90
1154.99Cobo, Debora; Quiroga, Jairo; Torre, José M. de la; Cobo, Justo; Low, John N.; Glidewell, Christopher
Three substituted (<i>E</i>)-3-aryl-2-(thienyl)acrylonitriles: isolated molecules, simple hydrogen-bonded chains and hydrogen-bonded sheets
Acta Crystallographica Section C, 2006, 62, o550-o553
2015580 CIF
HKL
Paper
C13 H9 N SP 1 21/c 19.628; 5.719; 19.247
90; 103.129; 90
1032.09Cobo, Debora; Quiroga, Jairo; Torre, José M. de la; Cobo, Justo; Low, John N.; Glidewell, Christopher
Three substituted (<i>E</i>)-3-aryl-2-(thienyl)acrylonitriles: isolated molecules, simple hydrogen-bonded chains and hydrogen-bonded sheets
Acta Crystallographica Section C, 2006, 62, o550-o553
2015581 CIF
HKL
Paper
C22 H25 N3 O4 SP -19.1188; 11.3095; 11.6526
97.5471; 110.587; 104.468
1056.98Cruz, Silvia; Quiroga, Jairo; Torre, José M. de la; Cobo, Justo; Low, John N.; Glidewell, Christopher
5-(2-Hydroxy-4,4-dimethyl-6-oxocyclohex-1-enyl)-3-methyl-2-(methylsulfanyl)-6-phenyl-7<i>H</i>-pyrrolo[2,3-<i>d</i>]pyrimidin-4(3<i>H</i>)-one monohydrate: complex sheets generated by multiple hydrogen bonds
Acta Crystallographica Section C, 2006, 62, o554-o556
2015582 CIF
HKL
Paper
C40 H36 Bi6 I22 N8P -111.3334; 12.9913; 15.7999
78.778; 79.52; 66.023
2071.2Goforth, Andrea M.; Tershansy, Meredith A.; Smith, Mark D.; Peterson Jr, LeRoy; Loye, Hans-Conrad zur
Tetrakis[2-(2-pyridyl)pyridinium] tetra-μ~3~-iodo-hexa-μ~2~-iodo-dodecaiodohexabismuthate and bis[tris(2,2'-bipyridine)ruthenium(II)] di-μ~4~-iodo-octa-μ~2~-iodo-dodecaiodohexabismuthate
Acta Crystallographica Section C, 2006, 62, m381-m385
2015583 CIF
HKL
Paper
C60 H48 Bi6 I22 N12 Ru2P -112.7346; 13.6135; 14.5978
91.38; 100.077; 92.01
2489Goforth, Andrea M.; Tershansy, Meredith A.; Smith, Mark D.; Peterson Jr, LeRoy; Loye, Hans-Conrad zur
Tetrakis[2-(2-pyridyl)pyridinium] tetra-μ~3~-iodo-hexa-μ~2~-iodo-dodecaiodohexabismuthate and bis[tris(2,2'-bipyridine)ruthenium(II)] di-μ~4~-iodo-octa-μ~2~-iodo-dodecaiodohexabismuthate
Acta Crystallographica Section C, 2006, 62, m381-m385
2015584 CIF
HKL
Paper
C44 H48 N10 O9 S7 Zn2P -111.716; 15.063; 15.837
76.49; 80.577; 79.533
2650.7Xi-Quan Che; Yu-Xiang Gao; Jing-Wei Wang
A novel 8-carboxyindeno[1,2-<i>b</i>]quinoxalin-11-one thiosemicarbazone zinc(II) Schiff base complex
Acta Crystallographica Section C, 2006, 62, m440-m442
2015585 CIF
HKL
Paper
C11 H15 Cl2 Co N3 O2P n m a18.0255; 7.6426; 10.7325
90; 90; 90
1478.53Özdemir, Namık; Dinçer, Muharrem; Dayan, Osman; Çetinkaya, Bekir
Dichloro[(1<i>E</i>,1'<i>E</i>)-1,1'-(pyridine-2,6-diyl)diethanone bis(<i>O</i>-methyloxime)-κ^3^<i>N</i>^1^,<i>N</i>^2^,<i>N</i>^6^]cobalt(II)
Acta Crystallographica Section C, 2006, 62, m398-m400
2015586 CIF
Paper
O9 P2 Pb2 VP 1 21/a 18.747; 9.016; 9.863
90; 100.96; 90
763.6Roman V. Shpanchenko; Enrique E. Kaul; Christoph Geibel; Evgeny V. Antipov
The new lead vanadylphosphate Pb~2~VO(PO~4~)~2~
Acta Crystallographica Section C, 2006, 62, i88-i90
2015587 CIF
HKL
Paper
C7 H8 N2 O5P 1 21/c 18.8154; 15.0516; 6.695
90; 90.933; 90
888.21S. Athimoolam; S. Natarajan
Hydrogen-bonding motifs in 4-carboxyphenylammonium nitrate and perchlorate monohydrate, and in bis(4-carboxyphenylammonium) sulfate
Acta Crystallographica Section C, 2006, 62, o612-o617
2015588 CIF
HKL
Paper
C7 H10 Cl N O7P 1 21/c 17.5492; 19.3871; 7.2974
90; 101.524; 90
1046.5S. Athimoolam; S. Natarajan
Hydrogen-bonding motifs in 4-carboxyphenylammonium nitrate and perchlorate monohydrate, and in bis(4-carboxyphenylammonium) sulfate
Acta Crystallographica Section C, 2006, 62, o612-o617
2015589 CIF
HKL
Paper
C14 H16 N2 O8 SP 1 21/c 118.7094; 14.0562; 6.0551
90; 97.272; 90
1579.58S. Athimoolam; S. Natarajan
Hydrogen-bonding motifs in 4-carboxyphenylammonium nitrate and perchlorate monohydrate, and in bis(4-carboxyphenylammonium) sulfate
Acta Crystallographica Section C, 2006, 62, o612-o617
2015590 CIF
HKL
Paper
Ba2 N15 RbP 1 2/n 18.6681; 5.6287; 11.733
90; 90.199; 90
572.45Vajenine, Grigori V.
RbBa~2~(N~3~)~5~: a new ternary azide
Acta Crystallographica Section C, 2006, 62, i85-i87
2015591 CIF
HKL
Paper
C18 H25 N Ni O13 SP 1 21/c 17.876; 15.594; 19.136
90; 93.214; 90
2346.6Yun He
Tetraaqua(7-hydroxy-5-oxidoflavone-6-sulfonato-κ^2^<i>O</i>^4^,<i>O</i>^5^)nickel(II) dimethylformamide solvate monohydrate
Acta Crystallographica Section C, 2006, 62, m469-m471
2015592 CIF
HKL
Paper
C40 H54 Fe2 N8 O20 S2C 1 2/c 113.7244; 21.6461; 16.1238
90; 90.68; 90
4789.7Onawumi, O. O. E.; Faboya, O. O. P.; Odunola, O. A.; Prasad, T. K.; Rajasekharan, M. V.
Solvent water tapes in two hydrates of μ-oxo-bis[bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(sulfato-κ<i>O</i>)iron(III)]
Acta Crystallographica Section C, 2006, 62, m480-m483
2015593 CIF
HKL
Paper
C40 H62 Fe2 N8 O24 S2C 1 2/c 112.8303; 21.819; 19.312
90; 96.288; 90
5373.8Onawumi, O. O. E.; Faboya, O. O. P.; Odunola, O. A.; Prasad, T. K.; Rajasekharan, M. V.
Solvent water tapes in two hydrates of μ-oxo-bis[bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(sulfato-κ<i>O</i>)iron(III)]
Acta Crystallographica Section C, 2006, 62, m480-m483
2015594 CIF
HKL
Paper
C32 H40 Br6 Fe2 N2 OP b c a13.8; 14.984; 18.283
90; 90; 90
3780.5Busi, Sara; Lahtinen, Manu; Sillanpää, Reijo; Rissanen, Kari
A linear Fe‒O‒Fe unit in bis(dibenzyldimethylammonium) μ-oxo-bis[tribromoferrate(III)]
Acta Crystallographica Section C, 2006, 62, m458-m460
2015595 CIF
HKL
Paper
C11 H14 Cl N5 O3P 21 21 217.637; 9.4576; 17.632
90; 90; 90
1273.5Seela, Frank; Peng, Xiaohua; Eickmeier, Henning; Reuter, Hans
2-Amino-7-chloro-2'-deoxytubercidin
Acta Crystallographica Section C, 2006, 62, o593-o595
2015596 CIF
HKL
Paper
C43 H41 Br3 Cl N7 O2C 1 2/c 113.439; 13.868; 46.162
90; 93.05; 90
8591.1Cruz, Silvia; Quiroga, Jairo; Torre, José M. de la; Cobo, Justo; Low, John N.; Glidewell, Christopher
3-[5-(4-Bromophenyl)-1<i>H</i>-pyrazol-3-ylamino]-5,5-dimethylcyclohex-2-en-1-one‒(<i>Z</i>)-3-(4-bromophenyl)-3-chloroacrylonitrile (2/1): a stoichiometric cocrystal of a reaction product with one of its early precursors
Acta Crystallographica Section C, 2006, 62, o608-o611
2015597 CIF
HKL
Paper
C8 H26 N8 Ni O10P 1 21/n 15.961; 17.604; 8.917
90; 108.38; 90
888Yurii S. Moroz; Elźbieta Gumienna-Kontecka; Igor O. Fritsky; Nikolay M. Dudarenko; Jolanta Świątek-Kozłowska
Bis(ethylenediaminium) bis[oxalohydroxamato(3‒)]nickelate(II) dihydrate
Acta Crystallographica Section C, 2006, 62, m498-m500
2015598 CIF
HKL
Paper
C25 H26 N2 O4P 1 21/c 114.4115; 11.4432; 13.432
90; 102.434; 90
2163.16Li, Chen-Guang; Robinson, Paul D.; Dyer, Daniel J.
A hydrogen-bonded heterodimer of 1-(4-hexyloxyphenyl)pyridin-4(1<i>H</i>)-one with 4-cyanobenzoic acid
Acta Crystallographica Section C, 2006, 62, o596-o598
2015599 CIF
HKL
Paper
C60 H54 N6 O10 ZnP 1 21/c 113.8014; 8.903; 21.1399
90; 91.675; 90
2596.43Sankar Muniappan; Sophia Lipstman; Israel Goldberg
Poly[[[μ-5,10,15,20-tetrakis(4-methoxycarbonylphenyl)porphyrinato(2‒)]zinc(II)] <i>N</i>,<i>N</i>'-dimethylacetamide disolvate]
Acta Crystallographica Section C, 2006, 62, m495-m497
2015600 CIF
HKL
Paper
C18 H12 N2 Ni O6C 1 2/c 122.018; 8.96; 16.371
90; 92.49; 90
3226.6Zhi-Feng Li; Hong-Zhen Xie; Yue-Qing Zheng
<i>catena</i>-Poly[bis[(1,10-phenanthroline)nickel(II)]-μ-3,6-dicarboxycyclohexane-1,2,4,5-tetracarboxylato]
Acta Crystallographica Section C, 2006, 62, m455-m457
2015601 CIF
HKL
Paper
C15 H20 N2 OC 1 c 110.0979; 13.4026; 10.6047
90; 109.479; 90
1353.07Julio Belmar; Claudio Jiménez; C. Ruiz-Pérez; F. S. Delgado; Ricardo Baggio
A unique tautomer of 1-<i>n</i>-hexyl-3-phenyl-1<i>H</i>-pyrazol-5-ol
Acta Crystallographica Section C, 2006, 62, o599-o601
2015602 CIF
HKL
Paper
C26 H24 Cd N14 S2P 1 21/c 110.914; 8.7717; 15.692
90; 101.488; 90
1472.2Ge, Hai-Yan; Zhang, Yu-Mei; Li, Bao-Long; Zhang, Yong
<i>catena</i>-Poly[[diisothiocyanatocadmium(II)]-bis[μ-1,3-bis(1,2,4-triazol-1-ylmethyl)benzene-κ^2^<i>N</i>^4^:<i>N</i>^4'^]]: a double-chain coordination polymer
Acta Crystallographica Section C, 2006, 62, m501-m503
2015603 CIF
HKL
Paper
C47 H28 N8 O ZnP 1 n 19.2505; 9.66; 21.1032
90; 101.422; 90
1848.43Sankar Muniappan; Sophia Lipstman; Israel Goldberg
Supramolecular assembly of (methanol)[10,15,20-tris(4-cyanophenyl)-5-(4-pyridyl)porphyrinato]zinc(II) by intermolecular hydrogen bonding and weak coordination
Acta Crystallographica Section C, 2006, 62, m477-m479
2015604 CIF
Paper
C16 H19 N O9 SP 1 21/c 117.852; 7.365; 13.558
90; 96.194; 90
1772Zun-Ting Zhang; Xin-Li Cheng; Yun He
Hydrogen bonding and π‒π stacking in methylaminium 4',7-dihydroxyisoflavone-3'-sulfonate dihydrate and hexaaquairon(II) bis(4',7-diethoxyisoflavone-3'-sulfonate) tetrahydrate
Acta Crystallographica Section C, 2006, 62, m484-m487
2015605 CIF
Paper
C38 H54 Fe O24 S2P -18.827; 10.422; 12.803
88.888; 84.952; 74.255
1129.2Zun-Ting Zhang; Xin-Li Cheng; Yun He
Hydrogen bonding and π‒π stacking in methylaminium 4',7-dihydroxyisoflavone-3'-sulfonate dihydrate and hexaaquairon(II) bis(4',7-diethoxyisoflavone-3'-sulfonate) tetrahydrate
Acta Crystallographica Section C, 2006, 62, m484-m487
2015606 CIF
HKL
Paper
C7 H7 Br2 NP 21 21 2110.5429; 12.4821; 12.6458
90; 90; 90
1664.16Pugh, David
2,6-Dibromo-3,5-dimethylpyridine and 2,6-diiodo-3,5-dimethylpyridine
Acta Crystallographica Section C, 2006, 62, o590-o592
2015607 CIF
HKL
Paper
C7 H7 I2 NP b c n7.6194; 14.6296; 8.1057
90; 90; 90
903.53Pugh, David
2,6-Dibromo-3,5-dimethylpyridine and 2,6-diiodo-3,5-dimethylpyridine
Acta Crystallographica Section C, 2006, 62, o590-o592
2015608 CIF
HKL
Paper
C48 H42 Cl2 O12 P4 Pd2P 1 21/n 112.268; 10.514; 19.549
90; 106.78; 90
2414.2Gniewek, Andrzej; Pryjomska-Ray, Iweta; Trzeciak, Anna M.; Ziółkowski, Józef J.; Lis, Tadeusz
A chloro-bridged dinuclear phosphinitopalladium complex, di-μ-chloro-bis[(diphenoxyphosphinite-κ<i>P</i>)(diphenoxyphosphinito-κ<i>P</i>)palladium(II)]
Acta Crystallographica Section C, 2006, 62, m491-m494
2015609 CIF
HKL
Paper
C7 H6 Cl2 N2 OP 1 21/n 17.5511; 14.4834; 8.3097
90; 110.485; 90
851.33Wardell, Solange M. S. V.; Vasconcelos, Thatyana R. A.; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher
Four substituted benzohydrazides: hydrogen-bonded structures in one, two and three dimensions
Acta Crystallographica Section C, 2006, 62, o618-o624
2015610 CIF
HKL
Paper
C7 H6 Cl2 N2 OP 1 21/c 115.1188; 3.8801; 13.6029
90; 91.106; 90
797.83Wardell, Solange M. S. V.; Vasconcelos, Thatyana R. A.; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher
Four substituted benzohydrazides: hydrogen-bonded structures in one, two and three dimensions
Acta Crystallographica Section C, 2006, 62, o618-o624
2015611 CIF
HKL
Paper
C7 H10 Cl N3 O2P 1 21/c 111.1667; 6.9936; 12.7105
90; 112.02; 90
920.2Wardell, Solange M. S. V.; Vasconcelos, Thatyana R. A.; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher
Four substituted benzohydrazides: hydrogen-bonded structures in one, two and three dimensions
Acta Crystallographica Section C, 2006, 62, o618-o624
2015612 CIF
HKL
Paper
C7 H7 N3 O3P 21 21 2112.5382; 4.9867; 12.8637
90; 90; 90
804.29Wardell, Solange M. S. V.; Vasconcelos, Thatyana R. A.; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher
Four substituted benzohydrazides: hydrogen-bonded structures in one, two and three dimensions
Acta Crystallographica Section C, 2006, 62, o618-o624
2015613 CIF
HKL
Paper
C19 H20 O2 SP 1 21 15.9765; 7.9484; 18.13
90; 96.439; 90
855.8Oscar Donoso-Tauda; Carlos A. Escobar; Ramiro Araya-Maturana; Andrés Vega
(2<i>S</i>,<i>R</i>~S~)-6-Phenyl-1-(<i>p</i>-tolylsulfinyl)hexa-3(<i>E</i>),5(<i>E</i>)-dien-2-ol
Acta Crystallographica Section C, 2006, 62, o631-o632
2015614 CIF
HKL
Paper
C13 H15 N3 O3P 1 21 111.039; 13.995; 17.371
90; 99.04; 90
2650.3Packianathan Thomas Muthiah; Kasthuri Balasubramani; Urszula Rychlewska; Agnieszka Plutecka
Hydrogen-bonding and π‒π interactions in 2-amino-4,6-dimethylpyrimidinium salicylate
Acta Crystallographica Section C, 2006, 62, o605-o607
2015615 CIF
HKL
Paper
C34 H32 N10 O8 ZnP -17.931; 10.34; 11.734
74.87; 75.64; 68.06
849.4Zhi-Feng Li; Chun-Xiang Wang; Chen-Xia Du
Diaquabis[2'-(4,5-diazafluoren-9-ylidene)picolinohydrazidato-κ^2^<i>N</i>,<i>O</i>]zinc(II) tetrahydrate: a metal‒water chain complex containing cyclic water hexamers
Acta Crystallographica Section C, 2006, 62, m488-m490
2015616 CIF
HKL
Paper
C11 H32 Cl2 N2 O P2 PdP 1 21/c 19.904; 9.654; 20.13
90; 94.228; 90
1919Suzuki, Takayoshi; Hasegawa, Atsushi; Yamaguchi, Hiroshi; Kashiwabara, Kazuo; Takagi, Hideo D.
<i>cis</i>-Bis[(3-aminopropyl)dimethylphosphine-κ^2^<i>N</i>,<i>P</i>]palladium(II) dichloride methanol solvate
Acta Crystallographica Section C, 2006, 62, m461-m463
2015617 CIF
HKL
Paper
C8 H10 Cl N O5P 1 21/c 16.517; 16.67; 9.56
90; 108.69; 90
983.8Bruno, Giuseppe; Rotondo, Archimede; Brancatelli, Giovanna; Nicoló, Francesco; Marino, Nadia
2,5-Dicarboxyanilinium chloride monohydrate
Acta Crystallographica Section C, 2006, 62, o587-o589
2015618 CIF
HKL
Paper
C26 H46 Fe2 N2 O9 SP 1 21/c 120.2187; 11.5943; 13.5435
90; 93.106; 90
3170.2Guo, Hong-Xu
Two-dimensional hydrogen-bond network in bis[(ferrocenylmethyl)dimethylammonium] sulfate pentahydrate
Acta Crystallographica Section C, 2006, 62, m504-m506
2015619 CIF
HKL
Paper
C23 H26 O7C 1 c 114.4281; 18.8386; 9.0887
90; 125.285; 90
2016.52Langer, Vratislav; Li, Shiming; Lundquist, Knut
Chalcone epoxide intermediates in the syntheses of lignin-related phenylcoumarans
Acta Crystallographica Section C, 2006, 62, o625-o627
2015620 CIF
HKL
Paper
C20 H22 O7P 1 21/c 112.7503; 9.4201; 15.4409
90; 94.706; 90
1848.3Langer, Vratislav; Li, Shiming; Lundquist, Knut
Chalcone epoxide intermediates in the syntheses of lignin-related phenylcoumarans
Acta Crystallographica Section C, 2006, 62, o625-o627
2015621 CIF
HKL
Paper
C18 H25 N O4P 1 21 17.505; 5.8492; 19.381
90; 100.289; 90
837.1Brown, Judge; Pawar, Diwakar M.; Fronczek, Frank R.; Noe, Eric A.
Cyclodecyl 4-nitrophenylacetate
Acta Crystallographica Section C, 2006, 62, o628-o630
2015622 CIF
HKL
Paper
C42 H30 Re S6P -19.7949; 10.8765; 19.4517
80.19; 76.77; 68.758
1871.5Eisenberg, Richard; Brennessel, William W.
Redetermination of the trigonal prismatic complex tris(<i>cis</i>-1,2-diphenylethylene-1,2-dithiolato)rhenium
Acta Crystallographica Section C, 2006, 62, m464-m466
2015623 CIF
HKL
Paper
C2 H12 B I3 N2P 1 21/m 19.3387; 7.1393; 9.4837
90; 118.495; 90
555.7Gainsford, Graeme J.; Kemmitt, Tim
Dihydrobis(methylamine)borate triiodide
Acta Crystallographica Section C, 2006, 62, o602-o604
2015624 CIF
HKL
Paper
C31 H33 Cl Cu N9 O10P -111.1178; 13.3595; 13.7998
111.627; 102.995; 103.648
1737.8Coyle, Joanne L.; Fuller, Anna; McKee, Vickie; Nelson, Jane
Comparison of copper imine and amine podates: geometric consequences of podand size and donor type
Acta Crystallographica Section C, 2006, 62, m472-m476
2015625 CIF
HKL
Paper
C29 H39 Cl2 Cu N7 O7P 1 21/c 113.183; 14.485; 16.914
90; 95.319; 90
3216Coyle, Joanne L.; Fuller, Anna; McKee, Vickie; Nelson, Jane
Comparison of copper imine and amine podates: geometric consequences of podand size and donor type
Acta Crystallographica Section C, 2006, 62, m472-m476
2015626 CIF
HKL
Paper
C30 H33 Cl Cu N7 O10P 1 21/c 19.5361; 18.687; 19.2367
90; 104.044; 90
3325.5Coyle, Joanne L.; Fuller, Anna; McKee, Vickie; Nelson, Jane
Comparison of copper imine and amine podates: geometric consequences of podand size and donor type
Acta Crystallographica Section C, 2006, 62, m472-m476
2015627 CIF
HKL
Paper
C4 H13 Cl2 Cu N3P m m n :26.0925; 8.644; 8.3575
90; 90; 90
440.14Pritchard, Robin G.; Ali, Majid; Munim, Abdul; Uddin, Asma
Chloro(diethylenetriamine)copper(II) chloride: a disordered quasi-one-dimensional structure
Acta Crystallographica Section C, 2006, 62, m467-m468
2015628 CIF
HKL
Paper
C22 H32 N2 O15 S2 ZnP 21 21 217.623; 7.2451; 11.3957
90; 90; 90
1455.01Yu-Ling Wang
<i>catena</i>-Poly[[[tetraaquazinc(II)]-μ-4,4'-bipyridine] bis(4-hydroxybenzenesulfonate) trihydrate]
Acta Crystallographica Section C, 2006, 62, m522-m524
2015629 CIF
HKL
Paper
C12 H25 Cl3 Mn N4R 3 2 :H10.601; 10.601; 12.484
90; 90; 120
1215Pritchard, Robin G.; Ali, Majid; Munim, Abdul; Uddin, Asma
Effects of <i>d</i>-orbital occupancy on the geometry of the trigonal‒bipyramidal complexes [<i>M</i>^II^Cl~3~(Hdabco)(dabco)]~<i>n~</i>, where <i>M</i> is Mn, Co, Ni or Cu and dabco is 1,4-diazabicyclo[2.2.2]octane
Acta Crystallographica Section C, 2006, 62, m507-m509
2015630 CIF
HKL
Paper
C12 H25 Cl3 Co N4R 3 2 :H10.5409; 10.5409; 12.303
90; 90; 120
1183.9Pritchard, Robin G.; Ali, Majid; Munim, Abdul; Uddin, Asma
Effects of <i>d</i>-orbital occupancy on the geometry of the trigonal‒bipyramidal complexes [<i>M</i>^II^Cl~3~(Hdabco)(dabco)]~<i>n~</i>, where <i>M</i> is Mn, Co, Ni or Cu and dabco is 1,4-diazabicyclo[2.2.2]octane
Acta Crystallographica Section C, 2006, 62, m507-m509
2015631 CIF
HKL
Paper
C18 H15 I6 PP -19.4288; 11.7262; 12.127
86.196; 77.29; 77.697
1277.65Pritchard, Robin G.; Moreland, Lee
Solvent-free synthesis and crystal structure of (Ph~3~PI)I~5~, the third member in the series Ph~3~P(I~2~)~<i>n~</i> (<i>n</i> = 1, 2 and 3)
Acta Crystallographica Section C, 2006, 62, o656-o658
2015632 CIF
HKL
Paper
C5 H8 Co N2 O8.72P 6113.4646; 13.4646; 9.8777
90; 90; 120
1550.9Şahin, Onur; Büyükgüngör, Orhan; Köse, Dursun Ali; Zümreoglu-Karan, Birgül; Necefoglu, Hacali
<i>catena</i>-Poly[[[triaquacobalt(II)]-μ-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylato(2‒)] 1.72-hydrate]
Acta Crystallographica Section C, 2006, 62, m513-m515
2015633 CIF
HKL
Paper
C28 H22 Cl Fe N8 O8P 1 21/c 112.8; 16.565; 14.895
90; 113.356; 90
2899.4Kooijman, Huub; Tanase, Stefania; Bouwman, Elisabeth; Reedijk, Jan; Spek, Anthony L.
Bis[bis(2-pyridylcarbonyl)aminato]iron(III) perchlorate acetonitrile disolvate
Acta Crystallographica Section C, 2006, 62, m510-m512
2015634 CIF
Paper
C18 H26 Cl2 N4 O10 ZnP 1 21/c 117.3792; 7.8924; 18.6583
90; 109.487; 90
2412.6Hong-Chang Liang; Marcel Hetu; Wheeler, Kraig A.; Lev N. Zhakorov; Arnold L. Rheingold
(Acetonitrile-κ<i>N</i>){2-[bis(2-pyridylethyl)amino]ethanol-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>}zinc(II) bis(perchlorate) monohydrate
Acta Crystallographica Section C, 2006, 62, m519-m521
2015635 CIF
HKL
Paper
C11 H13 N5 O4P 1 21 15.4154; 9.8941; 11.4431
90; 94.97; 90
610.82Roivainen, Jarkko; Reuter, Hans; Mikhailopulo, Igor A.; Eickmeier, Henning
9-(1,3-Anhydro-β-<small>D</small>-psicofuranosyl)adenine
Acta Crystallographica Section C, 2006, 62, o659-o660
2015636 CIF
HKL
Paper
C9 H20 Cl N4 O5 Rh2P 1 21/c 18.601; 14.254; 12.664
90; 98.854; 90
1534.1Ebihara, Masahiro; Fuma, Yasuhiro
A zigzag chain structure in <i>catena</i>-poly[[[tetra-μ-acetamidato-κ^4^<i>N</i>:<i>O</i>;κ^4^<i>O</i>:<i>N</i>-dirhodium(II,III)]-μ-chloro] methanol solvate]
Acta Crystallographica Section C, 2006, 62, m556-m558
2015637 CIF
HKL
Paper
Ca7.96 Cu0.04 Ge5 O18P b c n5.2436; 11.6079; 28.9238
90; 90; 90
1760.51Redhammer, Günther J.; Roth, Georg; Amthauer, Georg
Ca~7.96~Cu~0.04~Ge~5~O~18~: a new calcium germanate with GeO~4~ and Ge~3~O~10~ units
Acta Crystallographica Section C, 2006, 62, i94-i96
2015638 CIF
HKL
Paper
C16 H14 Ba Cl4 O8P 1 21/c 118.671; 7.7027; 14.002
90; 90.99; 90
2013.4Hao, Xiao-Min; Gu, Chang-Sheng; Liu, Ji-Wei; Song, Wen-Dong
Poly[[μ-aqua-bis(μ-2,4-dichlorophenoxyacetato)barium(II)] monohydrate]
Acta Crystallographica Section C, 2006, 62, m516-m518
2015639 CIF
HKL
Paper
C12 H24 N6 O6P 43 21 29.9296; 9.9296; 34.0538
90; 90; 90
3357.6Beckmann, Udo; Brooker, Sally
1:1 Adduct of (<i>S</i>,<i>S</i>)-4-amino-3,5-bis(1-hydroxyethyl)-1,2,4-triazole with (<i>S</i>,<i>S</i>)-1,2-bis(2-hydroxypropionyl)hydrazine stabilized by eight hydrogen bonds
Acta Crystallographica Section C, 2006, 62, o653-o655
2015640 CIF
HKL
Paper
C9 H12 Br2 O3P -19.0779; 9.1402; 15.3942
85.74; 82.209; 64.386
1140.98François Loiseau; Reinhard Neier; Gaël Labat; Helen Stoeckli-Evans
<i>rac</i>-(<i>Z</i>)-Ethyl 2-bromo-2-[(3<i>R</i>,5<i>R</i>)-3-bromo-5-methyltetrahydrofuran-2-ylidene]acetate
Acta Crystallographica Section C, 2006, 62, o636-o638
2015641 CIF
HKL
Paper
C42 H26 Br2 F10 N4 PdP -111.6122; 12.1401; 13.659
92.589; 95.61; 92.52
1912.1Aytaç Gürhan Gökçe; Gülcemal, Süleyman; Aygün, Muhittin; Çetinkaya, Bekir; Büyükgüngör, Orhan
<i>trans</i>-Bis[1-benzyl-3-(2,3,4,5,6-pentafluorobenzyl)benzimidazol-2-ylidene]dibromopalladium(II)
Acta Crystallographica Section C, 2006, 62, m535-m537
2015642 CIF
HKL
Paper
C24 H22 Fe N4 O2P -18.9859; 9.8987; 13.7459
100.297; 102.114; 114.051
1042.75Yao-Cheng Shi; Bei-Bei Zhu; Xiao-Bi Jing
<i>N</i>,<i>N</i>'-Bis(2-pyridylmethyl)ferrocene-1,1'-diyldicarboxamide and <i>N</i>,<i>N</i>'-bis(3-pyridylmethyl)ferrocene-1,1'-diyldicarboxamide
Acta Crystallographica Section C, 2006, 62, m559-m562
2015643 CIF
HKL
Paper
C24 H22 Fe N4 O2P -16.386; 7.882; 9.987
85.305; 89.53; 84.831
499Yao-Cheng Shi; Bei-Bei Zhu; Xiao-Bi Jing
<i>N</i>,<i>N</i>'-Bis(2-pyridylmethyl)ferrocene-1,1'-diyldicarboxamide and <i>N</i>,<i>N</i>'-bis(3-pyridylmethyl)ferrocene-1,1'-diyldicarboxamide
Acta Crystallographica Section C, 2006, 62, m559-m562
2015644 CIF
HKL
Paper
C14 H10 Cl2P -19.715; 9.745; 13.868
91.21; 102.457; 108.561
1209.6Jabbar, Md. Abdul; Aritome, Isao; Shimakoshi, Hisashi; Hisaeda,Yoshio
1,1'-(Ethenylidene)bis(4-chlorobenzene)
Acta Crystallographica Section C, 2006, 62, o663-o665
2015645 CIF
HKL
Paper
C5 H13 N OP 21 21 214.8154; 8.518; 15.624
90; 90; 90
640.9Dittrich, Birger; Munshi, Parthapratim; Spackman, Mark A.
Invariom-model refinement of <small>L</small>-valinol
Acta Crystallographica Section C, 2006, 62, o633-o635
2015646 CIF
HKL
Paper
C38 H33 Fe I N2 O2 P2C 1 c 110.602; 26.834; 12.489
90; 102.77; 90
3465.2Duarte, M. Teresa; Piedade, M. Fátima M.; Robalo, M. Paula; Jacob, C.; Garcia, M. Helena
The effect of counter-ions on the supramolecular arrangement of (benzonitrile)[1,2-bis(diphenylphosphino)ethane](η^5^-cyclopentadienyl)iron(II) cations
Acta Crystallographica Section C, 2006, 62, m531-m534
2015647 CIF
HKL
Paper
C15 H15 N5 O3 SP 1 21/n 19.0543; 17.884; 10.3365
90; 102.84; 90
1631.9Xue, Si-Jia; Wang, Qing-Dong; Li, Jing-Zhi
1-(4,6-Diethoxypyrimidin-2-yl)-2-thioxo-2,3-dihydropyrido[2,3-<i>d</i>]pyrimidin-4(1<i>H</i>)-one
Acta Crystallographica Section C, 2006, 62, o666-o668
2015648 CIF
HKL
Paper
Cr0.5 K Nb0.5 O5 PP n n a12.849; 10.672; 6.4635
90; 90; 90
886.3Artem A. Babaryk; Igor V. Zatovsky; Vyacheslav N. Baumer; Nikolay S. Slobodyanik; Oleg V. Shishkin
Centrosymmetric aliovalent KTP isomorphs K<i>M</i>^III^~0.5~Nb~0.5~OPO~4~ (<i>M</i> = Cr and Fe)
Acta Crystallographica Section C, 2006, 62, i91-i93
2015649 CIF
HKL
Paper
Fe0.5 K Nb0.5 O5 PP n n a12.9675; 10.705; 6.4638
90; 90; 90
897.3Artem A. Babaryk; Igor V. Zatovsky; Vyacheslav N. Baumer; Nikolay S. Slobodyanik; Oleg V. Shishkin
Centrosymmetric aliovalent KTP isomorphs K<i>M</i>^III^~0.5~Nb~0.5~OPO~4~ (<i>M</i> = Cr and Fe)
Acta Crystallographica Section C, 2006, 62, i91-i93
2015650 CIF
HKL
Paper
C10 H12 N4I 41/a :216.4033; 16.4033; 15.7192
90; 90; 90
4229.5Şahin, Onur; Büyükgüngör, Orhan; Şaşmaz, Selami; Gümrükçüoǧlu, Nurhan; Kantar, Cihan
N—H···N and C—H···π interactions in 4-amino-3-methyl-5-(<i>p</i>-tolyl)-4<i>H</i>-1,2,4-triazole and 4-amino-3-methyl-5-phenyl-4<i>H</i>-1,2,4-triazole
Acta Crystallographica Section C, 2006, 62, o643-o646
2015651 CIF
HKL
Paper
C9 H10 N4P 21 21 216.1062; 7.3981; 19.653
90; 90; 90
887.8Şahin, Onur; Büyükgüngör, Orhan; Şaşmaz, Selami; Gümrükçüoǧlu, Nurhan; Kantar, Cihan
N—H···N and C—H···π interactions in 4-amino-3-methyl-5-(<i>p</i>-tolyl)-4<i>H</i>-1,2,4-triazole and 4-amino-3-methyl-5-phenyl-4<i>H</i>-1,2,4-triazole
Acta Crystallographica Section C, 2006, 62, o643-o646
2015652 CIF
HKL
Paper
C6 H12 N O5 PP 1 21/c 19.2775; 6.7213; 14.875
90; 94.614; 90
924.6Petar Todorov; Emilia Naydenova; Rosica Petrova; Boris Shivachev; Kolio Troev
[(4,4-Dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phosphonic acid
Acta Crystallographica Section C, 2006, 62, o661-o662
2015653 CIF
HKL
Paper
C24 H32 Cd N10 S2P 1 21/c 110.117; 15.951; 9.858
90; 114.33; 90
1449.6Li, Qiao-Yun; Li, Hong-Xi; Tang, Xiao-Yan; Zhang Yong; Lang, Jian-Ping
Bis[bis(3,5-dimethylpyrazol-1-yl)methane]bis(isothiocyanato)cadmium(II) and <i>catena</i>-poly[[di-μ-dicyanamidato-bis{[bis(3,5-dimethylpyrazol-1yl)methane]cadmium(II)}]-di-μ-dicyanamidato]
Acta Crystallographica Section C, 2006, 62, m527-m530
2015654 CIF
HKL
Paper
C30 H32 Cd2 N20P 1 21/c 117.756; 12.883; 17.637
90; 110.44; 90
3780.5Li, Qiao-Yun; Li, Hong-Xi; Tang, Xiao-Yan; Zhang Yong; Lang, Jian-Ping
Bis[bis(3,5-dimethylpyrazol-1-yl)methane]bis(isothiocyanato)cadmium(II) and <i>catena</i>-poly[[di-μ-dicyanamidato-bis{[bis(3,5-dimethylpyrazol-1yl)methane]cadmium(II)}]-di-μ-dicyanamidato]
Acta Crystallographica Section C, 2006, 62, m527-m530
2015655 CIF
HKL
Paper
C25 H31 O6 PP 21 21 215.7381; 19.5148; 21.9735
90; 90; 90
2460.5Gainsford, Graeme J.; Lensink Cornelis; Falshaw, Andrew
3-Diphenylphosphino-1,2:5,6-di-<i>O</i>-isopropylidene-4-<i>O</i>-methyl-1<small>D</small>-<i>chiro</i>-inositol
Acta Crystallographica Section C, 2006, 62, o650-o652
2015656 CIF
HKL
Paper
C22 H29 N5 O3 SP 1 21/c 112.3634; 6.8031; 28.077
90; 90.306; 90
2361.5Dinçer, Muharrem; Özdemir, Namık; Çetin, Ahmet; Keser, Tekin; Büyükgüngör, Orhan
<i>N</i>-Cyclohexyl-2-[5-(4-pyridyl)-4-(<i>p</i>-tolyl)-4<i>H</i>-1,2,4-triazol-3-ylsulfanyl]acetamide dihydrate
Acta Crystallographica Section C, 2006, 62, o639-o642
2015657 CIF
HKL
Paper
C57 H40 N6 O7 ZnP -112.3796; 13.4467; 15.5757
78.1094; 69.5983; 68.0862
2245.96Sophia Lipstman; Sankar Muniappan; Israel Goldberg
Hydrogen-bonded supramolecular arrays of aqua[20-(4-carboxyphenyl)-5,10,15-triphenylporphyrinato]zinc(II) in crystals of its nitrobenzene disolvate
Acta Crystallographica Section C, 2006, 62, m538-m540
2015658 CIF
HKL
Paper
C5 H8 O5 ZnP 1 21/c 18.703; 8.5986; 9.4773
90; 102.532; 90
692.3Guo, Ming-Lin; Zhao, Yong-Nan
Poly[aqua-μ~3~-2,2-dimethylmalonato-zinc(II)]
Acta Crystallographica Section C, 2006, 62, m563-m565
2015659 CIF
HKL
Paper
C48 H108 D16 Li4 O20 S4 Si4P -18.5218; 14.0107; 17.4337
99.743; 99.712; 105.197
1929.4Magdalena Kloskowska; Jarosław Chojnacki; Wiesław Wojnowski; Barbara Becker
The first compound with an unusual type of anion, [Li(S<i>R</i>)~2~]^{‒^}: bis(μ~2~-aqua-<i>d</i>~2~)tetrakis(aqua-<i>d</i>~2~)dilithium(I) bis[bis(tri-<i>tert</i>-butoxysilanethiolato-κ^2^<i>O</i>,<i>S</i>)lithate(I)] dihydrate-<i>d</i>~2~
Acta Crystallographica Section C, 2006, 62, m541-m544
2015660 CIF
HKL
Paper
C17 H34 N2 O9.5 Rh2P 1 21/c 18.4443; 18.0873; 15.9154
90; 90.333; 90
2430.79Pevec, Andrej; Alojz Demšar; Aoki, Katsuyuki; Turel, Iztok
<i>catena</i>-Poly[[[tetrakis(μ-acetato-κ^2^<i>O</i>:<i>O</i>')dirhodium(II)]-μ-[1,3-bis(dimethylamino)propan-2-ol-κ^2^<i>N</i>:<i>N</i>']] tetrahydrofuran hemisolvate]
Acta Crystallographica Section C, 2006, 62, m545-m547
2015661 CIF
HKL
Paper
C12 H26 Cl2 F6 Fe N4 PP 1 21/c 18.3437; 19.848; 14.028
90; 120.685; 90
1997.8McClain II, James M.; Maples, Danny L.; Maples, Randall D.; Matz, Dallas L.; Harris, Sebastian M.; Nelson, Andrew D. L.; Silversides, Jon D.; Archibald, Stephen J.; Hubin, Timothy J.
Dichloro(4,10-dimethyl-1,4,7,10-tetraazabicyclo[5.5.2]tetradecane)iron(III) hexafluorophosphate
Acta Crystallographica Section C, 2006, 62, m553-m555
2015662 CIF
HKL
Paper
C8 H7 N O4C 1 2/c 121.969; 9.2901; 7.9642
90; 106.216; 90
1560.78Wardell, Solange M. S. V.; Wardell, James L.; Low, John N.; Glidewell, Christopher
3-Nitrophenylacetic acid: a three-dimensional hydrogen-bonded framework structure containing substructures in zero, one and two dimensions
Acta Crystallographica Section C, 2006, 62, o647-o649
2015663 CIF
HKL
Paper
C10 H8 I2 N2 ZnP 1 21/c 117.14; 13.93; 11.95
90; 109; 90
2697.7Le-Qing Fan; Ji-Huai Wu
<i>catena</i>-Poly[[diiodozinc(II)]-<i>{μ</i>}-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>']
Acta Crystallographica Section C, 2006, 62, m548-m549
2015664 CIF
HKL
Paper
C3 H12 N2 O10 V4C 1 2/c 17.977; 10.099; 15.21
90; 104.075; 90
1188.5Nicholas F. Stephens; Philip Lightfoot
A second polymorph of [H~3~N(CH~2~)~3~NH~3~][V~4~O~10~]
Acta Crystallographica Section C, 2006, 62, m566-m568
2015665 CIF
HKL
Paper
C30 H44 Cl2 Co2 N8 O6P -17.3955; 11.239; 11.7463
104.505; 106.052; 95.888
892.73Lah, Nina; Leban, Ivan
A dimeric cobalt(II)‒suberate complex with 3-aminopyridine
Acta Crystallographica Section C, 2006, 62, m550-m552
2015666 CIF
HKL
Paper
C10 H10 Cl4 Mn N2I 1 2/a 16.9781; 12.7118; 14.1568
90; 91.206; 90
1255.5Li, Ming-Xue; Li, Su-Zhi
<i>catena</i>-Poly[4,4'-bipyridinium [[<i>cis</i>-dichloromanganese(II)]-di-μ-chloro]], a novel manganese(II) coordination polymer with 4,4'-bipyridinium
Acta Crystallographica Section C, 2006, 62, m525-m526
2015667 CIF
HKL
Paper
C10 H10 Cl Cu N3 O4P 1 21/n 110.8944; 10.676; 11.0496
90; 106.86; 90
1229.92Youngme, Sujittra; Phatchimkun, Jaturong; Chaichit, Narongsak
Aqua(2,2'-bipyridyl)chloronitratocopper(II)
Acta Crystallographica Section C, 2006, 62, m574-m576
2015668 CIF
HKL
Paper
C18 H24 Cl4 Cu2 N4 O2P 1 21/n 110.531; 10.274; 11.012
90; 102.654; 90
1162.5Ri-Cheng Xuan; Min Xu; Dong-Ping Cheng
Dichloro(<i>O</i>-ethyl 3-methylpyridine-2-carboximidic acid-κ^2^<i>N</i>,<i>N</i>')copper(II)
Acta Crystallographica Section C, 2006, 62, m587-m589
2015669 CIF
HKL
Paper
C6 H8 O3P 1 21/c 17.8564; 7.9812; 10.1367
90; 111.862; 90
589.9Malak, Muhammad H.; Baker, Daniel; Brunskill, Andrew P. J.; Thompson, Hugh W.; Lalancette, Roger A.
(±)-3-Oxocyclopentanecarboxylic acid: the smallest keto acid known to aggregate by catemeric hydrogen bonding
Acta Crystallographica Section C, 2006, 62, o669-o670
2015670 CIF
HKL
Paper
C6 H14 I4 N2 O2 PbP n n m12.952; 14.489; 4.5851
90; 90; 90
860.4Lemmerer, Andreas; Billing, David G.
Two packing motifs based upon chains of edge-sharing PbI~6~ octahedra
Acta Crystallographica Section C, 2006, 62, m597-m601
2015671 CIF
HKL
Paper
C16 H24 I4 N2 PbC 1 2/c 130.1215; 4.6111; 20.4599
90; 122.725; 90
2390.7Lemmerer, Andreas; Billing, David G.
Two packing motifs based upon chains of edge-sharing PbI~6~ octahedra
Acta Crystallographica Section C, 2006, 62, m597-m601
2015672 CIF
HKL
Paper
C28 H26 Cu Fe2 O4C 1 2/c 129.641; 7.4132; 10.5656
90; 92.109; 90
2320.06Boyd, Peter D.W.; Johns, Paul M.; Rickard, Clifton E.F.
Bis(1-ferrocenylbutane-1,3-dionato-κ^2^<i>O</i>,<i>O</i>')copper(II) and bis(1,3-diferrocenylpropane-1,3-dionato-κ^2^<i>O</i>,<i>O</i>')copper(II)
Acta Crystallographica Section C, 2006, 62, m590-m593
2015673 CIF
HKL
Paper
C46 H38 Cu Fe4 O4P -111.9182; 12.8881; 12.9097
89.67; 78.617; 76.987
1892.49Boyd, Peter D.W.; Johns, Paul M.; Rickard, Clifton E.F.
Bis(1-ferrocenylbutane-1,3-dionato-κ^2^<i>O</i>,<i>O</i>')copper(II) and bis(1,3-diferrocenylpropane-1,3-dionato-κ^2^<i>O</i>,<i>O</i>')copper(II)
Acta Crystallographica Section C, 2006, 62, m590-m593
2015674 CIF
HKL
Paper
Ce K4 O16 P4 ZrI 41/a m d :26.7039; 6.7039; 17.065
90; 90; 90
766.9Ogorodnyk, Ivan V.; Zatovsky, Igor V.; Baumer, Vyacheslav N.; Slobodyanik, Nikolay S.; Shishkin, Oleg V.
A disordered cerium(IV) phosphate with a tunnel structure, K~4~CeZr(PO~4~)~4~
Acta Crystallographica Section C, 2006, 62, i100-i102
2015675 CIF
HKL
Paper
F4 H4 N ScP m c n7.862; 8.088; 13.503
90; 90; 90
858.6Nicholas F. Stephens; Philip Lightfoot
Ammonium scandium tetrafluoride
Acta Crystallographica Section C, 2006, 62, i103-i105
2015676 CIF
HKL
Paper
C26 H34 Cd N2 O10P b c n11.645; 15.149; 15.194
90; 90; 90
2680.38E Yang; Rong-Qiang Zhuang; Jian-Xin Chen
<i>catena</i>-Poly[[[<i>cis</i>-aquabis(4-carboxycyclohexane-1-carboxylato-κ^2^<i>O</i>,<i>O</i>')cadmium(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>] monohydrate]
Acta Crystallographica Section C, 2006, 62, m612-m613
2015677 CIF
HKL
Paper
C5 H4 N2 O5 PbP 1 21/c 17.0301; 15.707; 6.968
90; 101.77; 90
753.2Zhang, Xian-Fa; Gao, Shan; Huo, Li-Hua; Zhao, Hui
A three-dimensional lead(II) coordination polymer: poly[aqua-μ-imidazole-4,5-dicarboxylato-lead(II)]
Acta Crystallographica Section C, 2006, 62, m617-m619
2015678 CIF
HKL
Paper
C10 H10 Mn N12 O2P 1 21/n 15.9642; 11.715; 10.853
90; 104.817; 90
733.1Jun Luo; Xin-Rong Zhang; Li-Li Cui; Wei-Quan Dai; Bao-Shu Liu
Diaquabis[5-(pyrazin-2-yl-κ<i>N</i>^1^)-1<i>H</i>-tetrazolato-κ<i>N</i>^1^]manganese(II) and diaquabis[5-(pyrazin-2-yl-κ<i>N</i>^1^)-1<i>H</i>-tetrazolato-κ<i>N</i>^1^]zinc(II)
Acta Crystallographica Section C, 2006, 62, m614-m616
2015679 CIF
HKL
Paper
C10 H10 N12 O2 ZnP 1 21/n 16.0906; 11.456; 10.686
90; 105.634; 90
718Jun Luo; Xin-Rong Zhang; Li-Li Cui; Wei-Quan Dai; Bao-Shu Liu
Diaquabis[5-(pyrazin-2-yl-κ<i>N</i>^1^)-1<i>H</i>-tetrazolato-κ<i>N</i>^1^]manganese(II) and diaquabis[5-(pyrazin-2-yl-κ<i>N</i>^1^)-1<i>H</i>-tetrazolato-κ<i>N</i>^1^]zinc(II)
Acta Crystallographica Section C, 2006, 62, m614-m616
2015680 CIF
HKL
Paper
C58 H52 Cl2 Cr N3 O7 Sn2P -112.767; 14.095; 15.967
96.122; 91.784; 94.944
2843.9Guo-Hai Xu; Jian-Fang Ma; Ying-Ying Liu; Shun-Li Li
Chloro(μ-6-methylpyridine-2-carboxylato)bis(6-methylpyridine-2-carboxylato)triphenylchromium(III)tin(IV) chlorotriphenyltin(IV)
Acta Crystallographica Section C, 2006, 62, m581-m583
2015681 CIF
HKL
Paper
C2 H80 Cd3 Cl16 Co4 N26 O4 S2P 1 21/n 18.8511; 28.6847; 11.9607
90; 109.958; 90
2854.34Bala, Ritu; Sharma, Raj Pal; Sharma, Upendra; Ferretti, Valeria
The first X-ray structure of a hexaamminecobalt(III) salt with two different complex chlorocadmium anions: synthesis, characterization and crystal structure of [Co(NH~3~)~6~]~4~[CdCl~6~][CdCl~4~(SCN)(H~2~O)]~2~Cl~2~·2H~2~O
Acta Crystallographica Section C, 2006, 62, m628-m631
2015682 CIF
HKL
Paper
C14 H14 I2 N2 O2 PtP 1 21/c 14.632; 16.456; 11.483
90; 98.57; 90
865.5Christian Tessier; Fernande D. Rochon
<i>trans</i>-Bis(3-acetylpyridine-κ<i>N</i>)diiodoplatinum(II)
Acta Crystallographica Section C, 2006, 62, m620-m622
2015683 CIF
HKL
Paper
C22 H28 N2 S8P 1 21/c 15.3573; 18.296; 27.041
90; 90.753; 90
2650.3Nygaard, Sune; Flood, Amar H.; Jeppesen, Jan O.; Bond, Andrew D.
<i>Cis</i>- and <i>trans</i>-bis(2-cyanoethylsulfanyl)(decane-1,10-diyldithio)tetrathiafulvalene
Acta Crystallographica Section C, 2006, 62, o677-o680
2015684 CIF
HKL
Paper
C22 H28 N2 S8P 1 21/n 17.8916; 26.1798; 12.9931
90; 100.576; 90
2638.8Nygaard, Sune; Flood, Amar H.; Jeppesen, Jan O.; Bond, Andrew D.
<i>Cis</i>- and <i>trans</i>-bis(2-cyanoethylsulfanyl)(decane-1,10-diyldithio)tetrathiafulvalene
Acta Crystallographica Section C, 2006, 62, o677-o680
2015685 CIF
HKL
Paper
C16 H18 Fe O4P 1 21/n 110.4324; 7.5565; 18.9837
90; 102.641; 90
1460.26Pavlović, Gordana; Barišić, Lidija; Čakić Semenčić, Mojca; Rapić, Vladimir
Methyl 4-(1'-carboxyferrocen-1-yl)butyrate
Acta Crystallographica Section C, 2006, 62, m610-m611
2015686 CIF
HKL
Paper
C23 H22 N4 O3P 1 21/c 112.107; 11.05; 14.627
90; 92.42; 90
1955.1Morris, James C.; Gordon-Wylie, Scott W.; Clark, George R.
7,7-Dimethyl-5<i>H</i>-dibenzo[<i>e</i>,<i>i</i>][1,4,8]triazacycloundecine-6,9,15(7<i>H</i>,8<i>H</i>,14<i>H</i>)-trione pyridine solvate
Acta Crystallographica Section C, 2006, 62, o674-o676
2015687 CIF
HKL
Paper
C26 H37 N O10P 1 21/c 18.5002; 17.6318; 18.2158
90; 97.744; 90
2705.2K. Ravikumar; B. Sridhar; D. G. Sathe; A. V. Naidu; K. D. Sawant
Donepezilium oxalate trihydrate, a therapeutic agent for Alzheimer's disease
Acta Crystallographica Section C, 2006, 62, o681-o683
2015688 CIF
HKL
Paper
C22 H19 N3 O2 SP -19.5353; 10.2071; 20.7901
79.198; 79.645; 78.257
1924.8B. Sridhar; K. Ravikumar; Y. S. Sadanandam
Dimorphism in (2<i>Z</i>)-2-benzylidene-<i>N</i>,7-dimethyl-3-oxo-5-phenyl-2,3-dihydro-5<i>H</i>-1,3-thiazolo[3,2-<i>a</i>]pyrimidine-6-carboxamide
Acta Crystallographica Section C, 2006, 62, o687-o690
2015689 CIF
HKL
Paper
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Dimorphism in (2<i>Z</i>)-2-benzylidene-<i>N</i>,7-dimethyl-3-oxo-5-phenyl-2,3-dihydro-5<i>H</i>-1,3-thiazolo[3,2-<i>a</i>]pyrimidine-6-carboxamide
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Paper
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90; 97.639; 90
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Secondary interactions in gold(I) complexes with thione ligands. 5. Two ionic compounds of the form bis(thione)gold(I) bis(4-halobenzenesulfonyl)amide
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2015691 CIF
HKL
Paper
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90; 111.596; 90
2809.3Jones, Peter G.; Friedrichs, Steffi
Secondary interactions in gold(I) complexes with thione ligands. 5. Two ionic compounds of the form bis(thione)gold(I) bis(4-halobenzenesulfonyl)amide
Acta Crystallographica Section C, 2006, 62, m623-m627
2015692 CIF
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Paper
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90; 94.59; 90
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<small>L</small>-Phenylalanine‒4-nitrophenol (1/1)
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HKL
Paper
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90; 90; 90
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{4(<i>S</i>)-(Piperidin-1-ylcarbonyl)-4-[3-(trifluoromethyl)phenylsulfonamido]butyl}guanidinium chloride: a model of a graftable thrombin inhibitor
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Paper
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Tetra-μ-chloro-1:2κ^4^<i>Cl</i>;1:3κ^4^<i>Cl</i>-dimethyl-2κ<i>C</i>,3κ<i>C</i>-tetrakis(tetrahydrofuran)-1κ^2^<i>O</i>,2κ<i>O</i>,3κ<i>O</i>-chromium(II)dizinc(II)
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HKL
Paper
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90; 100.857; 90
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(2-Methoxy-3-pyridyl)boronic acid
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Paper
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90; 106.37; 90
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BaY~2~Si~3~O~10~: a new flux-grown trisilicate
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Paper
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Bis[tris(2,2'-bipyridine)iron(II)] tetraaquasodium(I) dodecatungstoferrate(III) dihydrate
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HKL
Paper
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4,4'-Bipyridinium tetrabromocadmate(II) with strong fluorescence
Acta Crystallographica Section C, 2006, 62, m571-m573
2015699 CIF
Paper
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An X-ray powder investigation of <i>catena</i>-poly[copper(II)-di-μ-chloro-κ^4^1:2<i>Cl</i>-μ-1,5-dimethyl-1<i>H</i>-tetrazole-κ^2^<i>N</i>^3^:<i>N</i>^4^]
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HKL
Paper
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The first metalloporphyrin dimer linked by a bridging phenylenedicarbene ligand
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HKL
Paper
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Aqua(di-2-pyridylamine-κ^2^<i>N</i>,<i>N</i>')(malonato-κ^2^<i>O</i>,<i>O</i>')copper(II) monohydrate
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2015702 CIF
HKL
Paper
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90; 90; 90
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Proton-transfer and non-transfer in compounds of quinoline and quinaldic acid with <small>L</small>-tartaric acid
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HKL
Paper
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100.95; 98.903; 106.388
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Proton-transfer and non-transfer in compounds of quinoline and quinaldic acid with <small>L</small>-tartaric acid
Acta Crystallographica Section C, 2006, 62, o694-o698
2015704 CIF
HKL
Paper
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90; 96.353; 90
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1-Acetyl-3-ferrocenyl-5-methyl-1<i>H</i>-pyrazole and 1-acetyl-5-ferrocenyl-3-(2-pyridyl)-1<i>H</i>-pyrazole
Acta Crystallographica Section C, 2006, 62, m577-m580
2015705 CIF
HKL
Paper
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90; 94.84; 90
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1-Acetyl-3-ferrocenyl-5-methyl-1<i>H</i>-pyrazole and 1-acetyl-5-ferrocenyl-3-(2-pyridyl)-1<i>H</i>-pyrazole
Acta Crystallographica Section C, 2006, 62, m577-m580
2015706 CIF
HKL
Paper
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87.469; 89.288; 89.931
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2-Hydroxy-3-(3-oxobutyl)naphthalene-1,4-dione
Acta Crystallographica Section C, 2006, 62, o671-o673
2015707 CIF
HKL
Paper
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90; 90; 90
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2,3-Diaryl-3-hydroxypropionic acid intermediates in the synthesis of <i>threo</i> forms of 1,2-diaryl-1,3-propanediols
Acta Crystallographica Section C, 2006, 62, o684-o686
2015708 CIF
HKL
Paper
B3 H O11 Zn6R -3 c :H8.1558; 8.1558; 26.171
90; 90; 120
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Proton-stabilized three-dimensional anionic framework in H[Zn~6~O~2~(BO~3~)~3~]
Acta Crystallographica Section C, 2006, 62, i106-i108
2015709 CIF
HKL
Paper
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90; 102.328; 90
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{μ-<i>N</i>,<i>N</i>'-Bis[3-(dimethylamino)propyl]oxamidato(2‒)-κ^6^<i>N</i>,<i>N</i>',<i>O</i>':<i>N</i>'',<i>N</i>''',<i>O</i>}bis[(1<i>H</i>-imidazole-κ<i>N</i>^3^)(methanol-κ<i>O</i>)copper(II)] bis(perchlorate)
Acta Crystallographica Section C, 2006, 62, m584-m586
2015710 CIF
HKL
Paper
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90; 94.989; 90
1319Vladimir N. Nesterov; David J. Wiedenfeld; Svitlana V. Nesterova; Lucas F. Hastings
5-Acetyl-2-amino-6-methyl-4-phenyl-4<i>H</i>-pyran-3-carbonitrile and 2-amino-5-benzoyl-6-methyl-4-phenyl-4<i>H</i>-pyran-3-carbonitrile acetonitrile solvate
Acta Crystallographica Section C, 2006, 62, o705-o708
2015711 CIF
HKL
Paper
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73.376; 82.308; 72.856
977.8Vladimir N. Nesterov; David J. Wiedenfeld; Svitlana V. Nesterova; Lucas F. Hastings
5-Acetyl-2-amino-6-methyl-4-phenyl-4<i>H</i>-pyran-3-carbonitrile and 2-amino-5-benzoyl-6-methyl-4-phenyl-4<i>H</i>-pyran-3-carbonitrile acetonitrile solvate
Acta Crystallographica Section C, 2006, 62, o705-o708
2015712 CIF
HKL
Paper
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86.31; 77.38; 77.56
581.1Kong, Li-Li; Gao, Shan; Huo, Li-Hua; Zhao, Hui
Poly[[di-μ~3~-acetato-di-μ~2~-aqua-diaqua-di-μ~3~-hydroxo-tricopper(II)] naphthalene-1,5-disulfonate]
Acta Crystallographica Section C, 2006, 62, m632-m634
2019335 CIF
Paper
C24 H36 O3P 21 21 217.7228; 14.2576; 18.7153
90; 90; 90
2060.72Dittrich, B.; Strumpel, M.; Schäfer, M.; Spackman, M. A.; Koritsánszky, T.
Invarioms for improved absolute structure determination of light-atom crystal structures
Acta Crystallographica Section A Foundations of Crystallography, 2006, 62, 217-223
2100345 CIF
Paper
C3 H9 Cl SiP m n 217.785; 6.43; 6.254
90; 90; 90
313.1Roman Gajda; Kamil F. Dziubek; Andrzej Katrusiak
Absence of halogen···halogen interactions in chlorotrimethylsilane polymorphs
Acta Crystallographica Section B, 2006, 62, 86-93
2100346 CIF
Paper
C3 H9 Cl SiP m n 217.768; 6.42; 6.233
90; 90; 90
310.8Roman Gajda; Kamil F. Dziubek; Andrzej Katrusiak
Absence of halogen···halogen interactions in chlorotrimethylsilane polymorphs
Acta Crystallographica Section B, 2006, 62, 86-93
2100347 CIF
Paper
C3 H9 Cl SiP m n 217.668; 6.34; 6.159
90; 90; 90
299.4Roman Gajda; Kamil F. Dziubek; Andrzej Katrusiak
Absence of halogen···halogen interactions in chlorotrimethylsilane polymorphs
Acta Crystallographica Section B, 2006, 62, 86-93
2100348 CIF
Paper
C6 H6P b c a7.287; 9.2; 6.688
90; 90; 90
448.4Budzianowski, Armand; Katrusiak, Andrzej
Pressure-frozen benzene I revisited
Acta Crystallographica Section B, 2006, 62, 94-101
2100349 CIF
Paper
C6 H6P b c a7.221; 9.05; 6.59
90; 90; 90
430.7Budzianowski, Armand; Katrusiak, Andrzej
Pressure-frozen benzene I revisited
Acta Crystallographica Section B, 2006, 62, 94-101
2100350 CIF
Paper
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90; 90; 90
455.6Budzianowski, Armand; Katrusiak, Andrzej
Pressure-frozen benzene I revisited
Acta Crystallographica Section B, 2006, 62, 94-101
2100351 CIF
Paper
C27 H33 N O3P 21 21 2111.757; 29.752; 6.5547
90; 90; 90
2292.8Turowska-Tyrk, Ilona; Trzop, Elżbieta; Scheffer, John R.; Chen, Shuang
Monitoring structural transformations in crystals. 8. Monitoring molecules and a reaction center during a solid-state Yang photocyclization
Acta Crystallographica Section B, 2006, 62, 128-134
2100352 CIF
Paper
C27 H33 N O3P 21 21 2111.7903; 29.728; 6.5519
90; 90; 90
2296.5Turowska-Tyrk, Ilona; Trzop, Elżbieta; Scheffer, John R.; Chen, Shuang
Monitoring structural transformations in crystals. 8. Monitoring molecules and a reaction center during a solid-state Yang photocyclization
Acta Crystallographica Section B, 2006, 62, 128-134
2100353 CIF
Paper
C27 H33 N O3P 21 21 2111.847; 29.649; 6.5443
90; 90; 90
2298.7Turowska-Tyrk, Ilona; Trzop, Elżbieta; Scheffer, John R.; Chen, Shuang
Monitoring structural transformations in crystals. 8. Monitoring molecules and a reaction center during a solid-state Yang photocyclization
Acta Crystallographica Section B, 2006, 62, 128-134
2100354 CIF
Paper
C27 H33 N O3P 21 21 2111.8971; 29.579; 6.535
90; 90; 90
2299.7Turowska-Tyrk, Ilona; Trzop, Elżbieta; Scheffer, John R.; Chen, Shuang
Monitoring structural transformations in crystals. 8. Monitoring molecules and a reaction center during a solid-state Yang photocyclization
Acta Crystallographica Section B, 2006, 62, 128-134
2100355 CIF
Paper
C27 H33 N O3P 21 21 2111.9628; 29.503; 6.5269
90; 90; 90
2303.6Turowska-Tyrk, Ilona; Trzop, Elżbieta; Scheffer, John R.; Chen, Shuang
Monitoring structural transformations in crystals. 8. Monitoring molecules and a reaction center during a solid-state Yang photocyclization
Acta Crystallographica Section B, 2006, 62, 128-134
2100356 CIF
Paper
C27 H33 N O3P 21 21 2112.053; 29.385; 6.5093
90; 90; 90
2305.4Turowska-Tyrk, Ilona; Trzop, Elżbieta; Scheffer, John R.; Chen, Shuang
Monitoring structural transformations in crystals. 8. Monitoring molecules and a reaction center during a solid-state Yang photocyclization
Acta Crystallographica Section B, 2006, 62, 128-134
2100357 CIF
Paper
C27 H33 N O3P 21 21 2112.14; 29.258; 6.4918
90; 90; 90
2305.8Turowska-Tyrk, Ilona; Trzop, Elżbieta; Scheffer, John R.; Chen, Shuang
Monitoring structural transformations in crystals. 8. Monitoring molecules and a reaction center during a solid-state Yang photocyclization
Acta Crystallographica Section B, 2006, 62, 128-134
2100358 CIF
Paper
C27 H33 N O3P 21 21 2112.364; 28.956; 6.4582
90; 90; 90
2312.1Turowska-Tyrk, Ilona; Trzop, Elżbieta; Scheffer, John R.; Chen, Shuang
Monitoring structural transformations in crystals. 8. Monitoring molecules and a reaction center during a solid-state Yang photocyclization
Acta Crystallographica Section B, 2006, 62, 128-134
2100359 CIF
Paper
C27 H33 N O3P 21 21 2112.4079; 28.861; 6.4428
90; 90; 90
2307.2Turowska-Tyrk, Ilona; Trzop, Elżbieta; Scheffer, John R.; Chen, Shuang
Monitoring structural transformations in crystals. 8. Monitoring molecules and a reaction center during a solid-state Yang photocyclization
Acta Crystallographica Section B, 2006, 62, 128-134
2100360 CIF
Paper
C27 H33 N O3P 21 21 2112.4288; 28.809; 6.4326
90; 90; 90
2303.3Turowska-Tyrk, Ilona; Trzop, Elżbieta; Scheffer, John R.; Chen, Shuang
Monitoring structural transformations in crystals. 8. Monitoring molecules and a reaction center during a solid-state Yang photocyclization
Acta Crystallographica Section B, 2006, 62, 128-134
2100361 CIF
Paper
C27 H33 N O3P 21 21 2112.4407; 28.779; 6.4272
90; 90; 90
2301.1Turowska-Tyrk, Ilona; Trzop, Elżbieta; Scheffer, John R.; Chen, Shuang
Monitoring structural transformations in crystals. 8. Monitoring molecules and a reaction center during a solid-state Yang photocyclization
Acta Crystallographica Section B, 2006, 62, 128-134
2100362 CIF
Paper
C27 H33 N O3P 21 21 2112.4509; 28.753; 6.4239
90; 90; 90
2299.8Acta Crystallographica, Section B, 2006, 62, 128-134
2100363 CIF
Paper
C27 H33 N O3P 21 21 2112.4537; 28.749; 6.424
90; 90; 90
2300Acta Crystallographica, Section B, 2006, 62, 128-134
2100364 CIF
Paper
Al0.1 Nd0.7 O3 Ti0.9C 1 2/m 17.67637; 7.64297; 7.71137
90; 90.042; 90
452.428Zhang, Zhaoming; Howard, Christopher J.; Knight, Kevin S.; Lumpkin, Gregory R.
Structures of the cation-deficient perovskite Nd~0.7~Ti~0.9~Al~0.1~O~3~ from high-resolution neutron powder diffraction in combination with group-theoretical analysis
Acta Crystallographica Section B, 2006, 62, 60-67
2100365 CIF
Paper
Al0.1 Nd0.7 O3 Ti0.9C m m m7.71021; 7.69428; 7.74755
90; 90; 90
459.62Zhang, Zhaoming; Howard, Christopher J.; Knight, Kevin S.; Lumpkin, Gregory R.
Structures of the cation-deficient perovskite Nd~0.7~Ti~0.9~Al~0.1~O~3~ from high-resolution neutron powder diffraction in combination with group-theoretical analysis
Acta Crystallographica Section B, 2006, 62, 60-67
2100366 CIF
HKL
Paper
C7 H3 Cl2 N OP -17.3325; 8.999; 12.221
78.65; 74.39; 74.23
740.7Britton, Doyle
3,5-Dihalo-4-hydroxybenzonitriles: isostructures, polymorphs and solvates
Acta Crystallographica Section B, 2006, 62, 109-117
2100367 CIF
HKL
Paper
C10 H6 Cl2 N OP -17.42; 8.386; 8.808
73.82; 66.99; 79.04
482.4Britton, Doyle
3,5-Dihalo-4-hydroxybenzonitriles: isostructures, polymorphs and solvates
Acta Crystallographica Section B, 2006, 62, 109-117
2100368 CIF
HKL
Paper
C9 H5.5 Cl2 N OP 1 21/n 14.5522; 15.067; 13.636
90; 98; 90
926.2Britton, Doyle
3,5-Dihalo-4-hydroxybenzonitriles: isostructures, polymorphs and solvates
Acta Crystallographica Section B, 2006, 62, 109-117
2100369 CIF
HKL
Paper
C7 H3 Br2 N OP -18.244; 9.12; 11.687
95.6; 108.55; 106.13
783.4Britton, Doyle
3,5-Dihalo-4-hydroxybenzonitriles: isostructures, polymorphs and solvates
Acta Crystallographica Section B, 2006, 62, 109-117
2100370 CIF
Paper
C7 H3 Br2 N OP -13.9684; 12.669; 16.047
79.68; 83.71; 83.06
784.7Britton, Doyle
3,5-Dihalo-4-hydroxybenzonitriles: isostructures, polymorphs and solvates
Acta Crystallographica Section B, 2006, 62, 109-117
2100371 CIF
Paper
C7 H3 I2 N OP -18.648; 9.393; 12.12
97.32; 109.86; 105.59
865.5Britton, Doyle
3,5-Dihalo-4-hydroxybenzonitriles: isostructures, polymorphs and solvates
Acta Crystallographica Section B, 2006, 62, 109-117
2100372 CIF
HKL
Paper
C7 H3 I2 N OP 1 21/c 115.657; 14.32; 7.724
90; 91.9; 90
1730.8Britton, Doyle
3,5-Dihalo-4-hydroxybenzonitriles: isostructures, polymorphs and solvates
Acta Crystallographica Section B, 2006, 62, 109-117
2100373 CIF
Paper
Al596 Cr156P 63/m m c32.3; 32.3; 12.4
90; 90; 120
11203.6Zhang, H.; He, Z.B.; Oleynikov, P.; Zou, X. D.; Hovmöller, S.; Kuo, K. H.
Structure model for the τ(μ) phase in Al‒Cr‒Si alloys deduced from the λ phase by the strong-reflections approach
Acta Crystallographica Section B, 2006, 62, 16-25
2100374 CIF
HKL
Paper
C10 H12 N5 O5 PP -18.9243; 10.72; 14.295
91.41; 100.75; 108.85
1266.2Ślósarek, G.; Kozak, M.; Gierszewski, J.; Pietraszko, A.
Structure of <i>N</i>^6^-furfurylaminopurine (kinetin) dihydrogenphosphate
Acta Crystallographica Section B, 2006, 62, 102-108
2100375 CIF
Paper
C10 H12 N5 O5 PP -14.4923; 10.736; 14.455
91; 100.92; 108.47
647Ślósarek, G.; Kozak, M.; Gierszewski, J.; Pietraszko, A.
Structure of <i>N</i>^6^-furfurylaminopurine (kinetin) dihydrogenphosphate
Acta Crystallographica Section B, 2006, 62, 102-108
2100376 CIF
Paper
C7 H7 Br N2 OP -17.269; 7.709; 8.403
67.01; 68.03; 72
394.61Plutecka, A.; Hoffmann, M.; Rychlewska, U.; Kucybała, Z.; Pączkowski, J.; Pyszka, I.
Relationship between structure and photoinitiating abilities of selected bromide salts of 2-oxo-2,3-dihydro-1<i>H</i>-imidazo[1,2-<i>a</i>]pyridine (IMP): influence of the solvent and the substitution in benzaldehyde on the course of its reaction with IMP
Acta Crystallographica Section B, 2006, 62, 135-142
2100377 CIF
Paper
C15 H14 Br N3 O4P 1 21 17.359; 12.987; 8.159
90; 105.95; 90
749.7Plutecka, A.; Hoffmann, M.; Rychlewska, U.; Kucybała, Z.; Pączkowski, J.; Pyszka, I.
Relationship between structure and photoinitiating abilities of selected bromide salts of 2-oxo-2,3-dihydro-1<i>H</i>-imidazo[1,2-<i>a</i>]pyridine (IMP): influence of the solvent and the substitution in benzaldehyde on the course of its reaction with IMP
Acta Crystallographica Section B, 2006, 62, 135-142
2100378 CIF
Paper
C15 H13 Br N2 O2P 21 21 218.851; 10.014; 15.895
90; 90; 90
1408.8Plutecka, A.; Hoffmann, M.; Rychlewska, U.; Kucybała, Z.; Pączkowski, J.; Pyszka, I.
Relationship between structure and photoinitiating abilities of selected bromide salts of 2-oxo-2,3-dihydro-1<i>H</i>-imidazo[1,2-<i>a</i>]pyridine (IMP): influence of the solvent and the substitution in benzaldehyde on the course of its reaction with IMP
Acta Crystallographica Section B, 2006, 62, 135-142
2100379 CIF
Paper
C2 H5 N3 O SP 1 21/c 17.2569; 7.4263; 9.593
90; 98.606; 90
511.2Munshi, Parthapratim; Thakur, T. S.; Guru Row, T. N.; Desiraju, G. R.
Five varieties of hydrogen bond in 1-formyl-3-thiosemicarbazide: an electron density study
Acta Crystallographica Section B, 2006, 62, 118-127
2100380 CIF
Paper
C2 H5 N3 O SP 1 21/c 17.2339; 7.3703; 9.4771
90; 98.426; 90
499.83Munshi, Parthapratim; Thakur, T. S.; Guru Row, T. N.; Desiraju, G. R.
Five varieties of hydrogen bond in 1-formyl-3-thiosemicarbazide: an electron density study
Acta Crystallographica Section B, 2006, 62, 118-127
2100381 CIF
Paper
C2 H5 N3 O SP 1 21/c 17.2359; 7.3713; 9.4768
90; 98.403; 90
500.05Munshi, Parthapratim; Thakur, T. S.; Guru Row, T. N.; Desiraju, G. R.
Five varieties of hydrogen bond in 1-formyl-3-thiosemicarbazide: an electron density study
Acta Crystallographica Section B, 2006, 62, 118-127
2100382 CIF
Paper
C6 H5 N O3P 1 21/c 16.138; 8.874; 11.702
90; 103.05; 90
620.9Wójcik, Grażyna; Mossakowska, Izabela
Polymorphs of <i>p</i>-nitrophenol as studied by variable-temperature X-ray diffraction and calorimetry: comparison with <i>m</i>-nitrophenol
Acta Crystallographica Section B, 2006, 62, 143-152
2100383 CIF
Paper
C6 H5 N O3P 1 21/c 16.136; 8.8; 11.481
90; 103.4; 90
603.1Wójcik, Grażyna; Mossakowska, Izabela
Polymorphs of <i>p</i>-nitrophenol as studied by variable-temperature X-ray diffraction and calorimetry: comparison with <i>m</i>-nitrophenol
Acta Crystallographica Section B, 2006, 62, 143-152
2100384 CIF
Paper
C6 H5 N O3P 1 21/c 16.146; 8.903; 11.763
90; 103.09; 90
626.9Wójcik, Grażyna; Mossakowska, Izabela
Polymorphs of <i>p</i>-nitrophenol as studied by variable-temperature X-ray diffraction and calorimetry: comparison with <i>m</i>-nitrophenol
Acta Crystallographica Section B, 2006, 62, 143-152
2100385 CIF
Paper
C6 H5 N O3P 1 21/n 13.774; 11.147; 14.695
90; 92.6; 90
617.6Wójcik, Grażyna; Mossakowska, Izabela
Polymorphs of <i>p</i>-nitrophenol as studied by variable-temperature X-ray diffraction and calorimetry: comparison with <i>m</i>-nitrophenol
Acta Crystallographica Section B, 2006, 62, 143-152
2100386 CIF
Paper
C6 H5 N O3P 1 21/n 13.678; 11.091; 14.627
90; 92.75; 90
596Wójcik, Grażyna; Mossakowska, Izabela
Polymorphs of <i>p</i>-nitrophenol as studied by variable-temperature X-ray diffraction and calorimetry: comparison with <i>m</i>-nitrophenol
Acta Crystallographica Section B, 2006, 62, 143-152
2100387 CIF
Paper
C6 H5 N O3P 1 21/n 13.831; 11.093; 14.835
90; 93.45; 90
629.3Wójcik, Grażyna; Mossakowska, Izabela
Polymorphs of <i>p</i>-nitrophenol as studied by variable-temperature X-ray diffraction and calorimetry: comparison with <i>m</i>-nitrophenol
Acta Crystallographica Section B, 2006, 62, 143-152
2100388 CIF
Paper
Hf0.006 O1.968 Zr0.994P 42/n m c3.58651; 3.58651; 5.16658
90; 90; 90
66.458Yashima, Masatomo; Tsunekawa, Shin
Crystal structures and the oxygen deficiency of tetragonal and monoclinic zirconium oxide nanoparticles
Acta Crystallographica, Section B, 2006, 62, 161-164
2100389 CIF
Paper
?P 42/n m c :13.58651; 3.58651; 5.16658
90; 90; 90
66.46Yashima, Masatomo; Tsunekawa, Shin
Crystal structures and the oxygen deficiency of tetragonal and monoclinic zirconium oxide nanoparticles
Acta Crystallographica, Section B, 2006, 62, 161-164
2100390 CIF
Paper
C21 H9 D14 N SP 1 21 18.5992; 10.1263; 10.0412
90; 98.364; 90
865.07Hosoya, Takaaki; Uekusa, Hidehiro; Ohashi, Yuji; Ohhara, Takashi; Tanaka, Ichiro; Niimura, Nobuo
Neutron diffraction analysis of deuterium transfer in chiral β-thiolactam formation in the crystalline state
Acta Crystallographica Section B, 2006, 62, 153-160
2100391 CIF
Paper
C21 H9 D14 N SP 1 21 18.7075; 10.2068; 10.0908
90; 99.909; 90
883.45Hosoya, Takaaki; Uekusa, Hidehiro; Ohashi, Yuji; Ohhara, Takashi; Tanaka, Ichiro; Niimura, Nobuo
Neutron diffraction analysis of deuterium transfer in chiral β-thiolactam formation in the crystalline state
Acta Crystallographica Section B, 2006, 62, 153-160
2100392 CIF
Paper
C21 H9 D14 N SP 1 21 18.9117; 10.5512; 10.3463
90; 102.589; 90
949.5Hosoya, Takaaki; Uekusa, Hidehiro; Ohashi, Yuji; Ohhara, Takashi; Tanaka, Ichiro; Niimura, Nobuo
Neutron diffraction analysis of deuterium transfer in chiral β-thiolactam formation in the crystalline state
Acta Crystallographica Section B, 2006, 62, 153-160
2100393 CIF
Paper
H8.6 K2.6 Li9.4 O42.3 Si16P 1 21/m 16.56; 23.057; 6.978
90; 90.08; 90
1055.4Park, So-Hyun; Boysen, Hans; Parise, John B.
Structural disorder of a new zeolite-like lithosilicate, K~2.6~Li~5.4~[Li~4~Si~16~O~38~]·4.3H~2~O
Acta Crystallographica Section B, 2006, 62, 42-51
2100394 CIF
Paper
C48 H108 O20 P4 Re4 UI -4 2 m15.5404; 15.5404; 14.8191
90; 90; 90
3578.9M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton
Temperature-resolved study of three [<i>M</i>(<i>M</i>'O~4~)~4~(TBPO)~4~] complexes (<i>MM</i>' = URe, ThRe, ThTc)
Acta Crystallographica Section B, 2006, 62, 68-85
2100395 CIF
Paper
C48 H108 O20 P4 Re4 UC m c 2121.5289; 21.9148; 14.8288
90; 90; 90
6996.3M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton
Temperature-resolved study of three [<i>M</i>(<i>M</i>'O~4~)~4~(TBPO)~4~] complexes (<i>MM</i>' = URe, ThRe, ThTc)
Acta Crystallographica Section B, 2006, 62, 68-85
2100396 CIF
Paper
C48 H108 O20 P4 Re4 UC m c 2121.4344; 21.7929; 14.7782
90; 90; 90
6903.2M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton
Temperature-resolved study of three [<i>M</i>(<i>M</i>'O~4~)~4~(TBPO)~4~] complexes (<i>MM</i>' = URe, ThRe, ThTc)
Acta Crystallographica Section B, 2006, 62, 68-85
2100397 CIF
Paper
C48 H108 O20 P4 Re4 UC 1 c 121.4; 21.68; 14.78
90; 90; 90
6857M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton
Temperature-resolved study of three [<i>M</i>(<i>M</i>'O~4~)~4~(TBPO)~4~] complexes (<i>MM</i>' = URe, ThRe, ThTc)
Acta Crystallographica Section B, 2006, 62, 68-85
2100398 CIF
Paper
C48 H108 O20 P4 Re4 ThI -4 2 m15.5577; 15.5577; 14.873
90; 90; 90
3599.9M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton
Temperature-resolved study of three [<i>M</i>(<i>M</i>'O~4~)~4~(TBPO)~4~] complexes (<i>MM</i>' = URe, ThRe, ThTc)
Acta Crystallographica Section B, 2006, 62, 68-85
2100399 CIF
Paper
C48 H108 O20 P4 Re4 ThC m c 2121.721; 21.738; 14.8793
90; 90; 90
7025.6M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton
Temperature-resolved study of three [<i>M</i>(<i>M</i>'O~4~)~4~(TBPO)~4~] complexes (<i>MM</i>' = URe, ThRe, ThTc)
Acta Crystallographica Section B, 2006, 62, 68-85
2100400 CIF
Paper
C48 H108 O20 P4 Re4 ThC m c 2121.61; 21.623; 14.8324
90; 90; 90
6930.8M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton
Temperature-resolved study of three [<i>M</i>(<i>M</i>'O~4~)~4~(TBPO)~4~] complexes (<i>MM</i>' = URe, ThRe, ThTc)
Acta Crystallographica Section B, 2006, 62, 68-85
2100401 CIF
Paper
C48 H108 O20 P4 Re4 ThC m c 2121.535; 21.548; 14.795
90; 90; 90
6865.4M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton
Temperature-resolved study of three [<i>M</i>(<i>M</i>'O~4~)~4~(TBPO)~4~] complexes (<i>MM</i>' = URe, ThRe, ThTc)
Acta Crystallographica Section B, 2006, 62, 68-85
2100402 CIF
Paper
C48 H108 O20 P4 Tc4 ThI -4 3 m15.3423; 15.3423; 15.3423
90; 90; 90
3611.4M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton
Temperature-resolved study of three [<i>M</i>(<i>M</i>'O~4~)~4~(TBPO)~4~] complexes (<i>MM</i>' = URe, ThRe, ThTc)
Acta Crystallographica Section B, 2006, 62, 68-85
2100403 CIF
Paper
C48 H108 O20 P4 Tc4 ThC m c 2121.444; 21.582; 14.736
90; 90; 90
6819.9M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton
Temperature-resolved study of three [<i>M</i>(<i>M</i>'O~4~)~4~(TBPO)~4~] complexes (<i>MM</i>' = URe, ThRe, ThTc)
Acta Crystallographica Section B, 2006, 62, 68-85
2100404 CIF
Paper
C48 H108 O20 P4 Tc4 ThP b c 2121.417; 21.649; 14.848
90; 90; 90
6884M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton
Temperature-resolved study of three [<i>M</i>(<i>M</i>'O~4~)~4~(TBPO)~4~] complexes (<i>MM</i>' = URe, ThRe, ThTc)
Acta Crystallographica Section B, 2006, 62, 68-85
2100405 CIF
Paper
C48 H108 O20 P4 Tc4 ThP b c 2121.358; 21.651; 14.79
90; 90; 90
6839M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton
Temperature-resolved study of three [<i>M</i>(<i>M</i>'O~4~)~4~(TBPO)~4~] complexes (<i>MM</i>' = URe, ThRe, ThTc)
Acta Crystallographica Section B, 2006, 62, 68-85
2100406 CIF
Paper
C48 H108 O20 P4 Tc4 ThP b c 2121.386; 21.732; 14.82
90; 90; 90
6888M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton
Temperature-resolved study of three [<i>M</i>(<i>M</i>'O~4~)~4~(TBPO)~4~] complexes (<i>MM</i>' = URe, ThRe, ThTc)
Acta Crystallographica Section B, 2006, 62, 68-85
2100407 CIF
HKL
Paper
Ce4 Cl0.92 N6.92 O3.16 Si4P 21 310.347; 10.347; 10.347
90; 90; 90
1107.8Friedrich, Alexandra; Haussuehl, Eiken; Morgenroth, Wolfgang; Lieb, Alexandra; Winkler, Björn; Knorr, Karsten; Schnick, Wolfgang
Crystal structure of the high-pressure phase of the oxonitridosilicate chloride Ce~4~[Si~4~O~3+<i>x~</i>N~7{-~<i>x</i>}]Cl~1{-~<i>x</i>}O~<i>x~</i>, <i>x</i> ≃0.2
Acta Crystallographica Section B, 2006, 62, 205-211
2100408 CIF
HKL
Paper
Ce4 Cl0.93 N6.93 O3.14 Si4P 21 310.223; 10.223; 10.223
90; 90; 90
1068.4Friedrich, Alexandra; Haussuehl, Eiken; Morgenroth, Wolfgang; Lieb, Alexandra; Winkler, Björn; Knorr, Karsten; Schnick, Wolfgang
Crystal structure of the high-pressure phase of the oxonitridosilicate chloride Ce~4~[Si~4~O~3+<i>x~</i>N~7{-~<i>x</i>}]Cl~1{-~<i>x</i>}O~<i>x~</i>, <i>x</i> ≃0.2
Acta Crystallographica Section B, 2006, 62, 205-211
2100409 CIF
HKL
Paper
Ce4 Cl0.93 N6.93 O3.14 Si4P 21 21 2110.824; 10.479; 8.967
90; 90; 90
1017.1Friedrich, Alexandra; Haussuehl, Eiken; Morgenroth, Wolfgang; Lieb, Alexandra; Winkler, Björn; Knorr, Karsten; Schnick, Wolfgang
Crystal structure of the high-pressure phase of the oxonitridosilicate chloride Ce~4~[Si~4~O~3+<i>x~</i>N~7{-~<i>x</i>}]Cl~1{-~<i>x</i>}O~<i>x~</i>, <i>x</i> ≃0.2
Acta Crystallographica Section B, 2006, 62, 205-211
2100410 CIF
Paper
C42 H28C m c a26.789; 7.17; 14.211
90; 90; 90
2729.6Jurchescu, Oana D.; Meetsma, Auke; Palstra, Thomas T.M.
Low-temperature structure of rubrene single crystals grown by vapor transport
Acta Crystallographica Section B, 2006, 62, 330-334
2100411 CIF
Paper
C42 H28C m c a26.789; 7.173; 14.246
90; 90; 90
2737.5Jurchescu, Oana D.; Meetsma, Auke; Palstra, Thomas T.M.
Low-temperature structure of rubrene single crystals grown by vapor transport
Acta Crystallographica Section B, 2006, 62, 330-334
2100412 CIF
Paper
C42 H28C m c a26.775; 7.168; 14.258
90; 90; 90
2736.4Jurchescu, Oana D.; Meetsma, Auke; Palstra, Thomas T.M.
Low-temperature structure of rubrene single crystals grown by vapor transport
Acta Crystallographica Section B, 2006, 62, 330-334
2100413 CIF
Paper
C42 H28C m c a26.828; 7.181; 14.306
90; 90; 90
2756.1Jurchescu, Oana D.; Meetsma, Auke; Palstra, Thomas T.M.
Low-temperature structure of rubrene single crystals grown by vapor transport
Acta Crystallographica Section B, 2006, 62, 330-334
2100414 CIF
Paper
C42 H28C m c a26.838; 7.181; 14.332
90; 90; 90
2762.1Jurchescu, Oana D.; Meetsma, Auke; Palstra, Thomas T.M.
Low-temperature structure of rubrene single crystals grown by vapor transport
Acta Crystallographica Section B, 2006, 62, 330-334
2100415 CIF
Paper
C42 H28C m c a26.818; 7.174; 14.348
90; 90; 90
2760.4Jurchescu, Oana D.; Meetsma, Auke; Palstra, Thomas T.M.
Low-temperature structure of rubrene single crystals grown by vapor transport
Acta Crystallographica Section B, 2006, 62, 330-334
2100416 CIF
Paper
C42 H28C m c a26.938; 7.211; 14.461
90; 90; 90
2809Jurchescu, Oana D.; Meetsma, Auke; Palstra, Thomas T.M.
Low-temperature structure of rubrene single crystals grown by vapor transport
Acta Crystallographica Section B, 2006, 62, 330-334
2100417 CIF
Paper
C42 H28C m c a26.86; 7.193; 14.433
90; 90; 90
2788.5Jurchescu, Oana D.; Meetsma, Auke; Palstra, Thomas T.M.
Low-temperature structure of rubrene single crystals grown by vapor transport
Acta Crystallographica Section B, 2006, 62, 330-334
2100418 CIF
Paper
C18 H18 Cl2 N2 O4 SnP -17.1204; 12.5017; 12.578
114.424; 92.562; 104.354
973.78Somphon, Weenawan; Haller, Kenneth J.; Ng, Seik Weng; Rae, A. David
Packing and polytypism in 1,10-phenanthrolin-1-ium (2-carboxyethyl)(2-carboxylatoethyl)dichlorostannate(IV)
Acta Crystallographica Section B, 2006, 62, 255-261
2100419 CIF
Paper
C3 H7 N O2 SP 21 21 218.1109; 12.1621; 5.421
90; 90; 90
534.76Moggach, Stephen A.; Allan, David R.; Clark, Stewart J.; Gutmann, Matthias J.; Parsons, Simon; Pulham, Colin R.; Sawyer, Lindsay
High-pressure polymorphism in <small>L</small>-cysteine: the crystal structures of <small>L</small>-cysteine-III and <small>L</small>-cysteine-IV
Acta Crystallographica Section B, 2006, 62, 296-309
2100420 CIF
Paper
C3 H7 N O2 SP 21 21 217.4146; 12; 5.3318
90; 90; 90
474.4Moggach, Stephen A.; Allan, David R.; Clark, Stewart J.; Gutmann, Matthias J.; Parsons, Simon; Pulham, Colin R.; Sawyer, Lindsay
High-pressure polymorphism in <small>L</small>-cysteine: the crystal structures of <small>L</small>-cysteine-III and <small>L</small>-cysteine-IV
Acta Crystallographica Section B, 2006, 62, 296-309
2100421 CIF
Paper
C3 H7 N O2 SP 21 21 218.0558; 10.4883; 5.3471
90; 90; 90
451.79Moggach, Stephen A.; Allan, David R.; Clark, Stewart J.; Gutmann, Matthias J.; Parsons, Simon; Pulham, Colin R.; Sawyer, Lindsay
High-pressure polymorphism in <small>L</small>-cysteine: the crystal structures of <small>L</small>-cysteine-III and <small>L</small>-cysteine-IV
Acta Crystallographica Section B, 2006, 62, 296-309
2100422 CIF
Paper
C3 H7 N O2 SP 21 21 217.9981; 10.2976; 5.284
90; 90; 90
435.2Moggach, Stephen A.; Allan, David R.; Clark, Stewart J.; Gutmann, Matthias J.; Parsons, Simon; Pulham, Colin R.; Sawyer, Lindsay
High-pressure polymorphism in <small>L</small>-cysteine: the crystal structures of <small>L</small>-cysteine-III and <small>L</small>-cysteine-IV
Acta Crystallographica Section B, 2006, 62, 296-309
2100423 CIF
Paper
C3 H7 N O2 SP 1 21 18.105; 5.442; 10.916
90; 94.897; 90
479.7Moggach, Stephen A.; Allan, David R.; Clark, Stewart J.; Gutmann, Matthias J.; Parsons, Simon; Pulham, Colin R.; Sawyer, Lindsay
High-pressure polymorphism in <small>L</small>-cysteine: the crystal structures of <small>L</small>-cysteine-III and <small>L</small>-cysteine-IV
Acta Crystallographica Section B, 2006, 62, 296-309
2100424 CIF
Paper
C21 H45 F6 N4 Ni O6 PP 21 314.008; 14.008; 14.008
90; 90; 90
2748.7Farrugia, L. J.; Frampton, C. S.; Howard, J. A. K.; Mallinson, P. R.; Peacock, R. D.; Smith, G. T.; Stewart, B.
Experimental charge-density study on the nickel(II) coordination complex [Ni(H~3~<i>L</i>)][NO~3~][PF~6~] [H~3~<i>L</i> = <i>N</i>,<i>N</i>',<i>N</i>''-tris(2-hydroxy-3-methylbutyl)-1,4,7-triazacyclononane]: a reappraisal
Acta Crystallographica Section B, 2006, 62, 236-244
2100425 CIF
Paper
C16 H26 O6P 3118.685; 18.685; 12.2539
90; 90; 120
3705.03A. David Rae; Anthony C. Willis; David T. Loong; Martin G. Banwell
(<i>Z</i>,2<i>R</i>,3<i>R</i>,4a<i>R</i>,7<i>R</i>,12a<i>S</i>)-2,3,7,8,12,12a-Hexahydro-2,3-dimethoxy-2,3,7-trimethyl-4a<i>H</i>-[1,4]dioxino[2,3-<i>c</i>]oxecin-5(11<i>H</i>)-one: a commensurate occupationally modulated structure revealing a condition for diffraction symmetry enhancement for non-parent reflections
Acta Crystallographica Section B, 2006, 62, 262-267
2100426 CIF
Paper
Ba1.117 Ni0.117 O3 Rh0.883R-3m(00\g)0s10.0576; 10.0576; 2.5862
90; 90; 120
226.56Schönleber, Andreas; Zúñiga, F. Javier; Perez-Mato, J. Manuel; Darriet, Jacques; zur Loye, Hans-Conrad
Description of Ba~1+<i>x~</i>Ni~<i>x~</i>Rh~1{-~<i>x</i>}O~3~ with <i>x</i> = 0.1170(5) in superspace: modulated composite <i>versus</i> modulated-layer structure
Acta Crystallographica Section B, 2006, 62, 197-204
2100427 CIF
Paper
Ba Ni0.105 O2.686 Rh0.791X-3c1(00\g)00010.0576; 10.0576; 4.6306
90; 90; 120
405.65Schönleber, Andreas; Zúñiga, F. Javier; Perez-Mato, J. Manuel; Darriet, Jacques; zur Loye, Hans-Conrad
Description of Ba~1+<i>x~</i>Ni~<i>x~</i>Rh~1{-~<i>x</i>}O~3~ with <i>x</i> = 0.1170(5) in superspace: modulated composite <i>versus</i> modulated-layer structure
Acta Crystallographica Section B, 2006, 62, 197-204
2100428 CIF
HKL
Paper
Ba0.38 K0.085 Na0.07 Nb2 O6 Sr0.56X4bm12.4375; 12.4375; 7.8807
90; 90; 90
1219.08Surmin, Audrey; Fertey, Pierre; Schaniel, Dominik; Woike, Theo
Modulated structure of potassium sodium strontium barium niobates (KNSBN): harmonic solution
Acta Crystallographica Section B, 2006, 62, 228-235
2100429 CIF
HKL
Paper
Ba0.26 K0.09 Na0.08 Nb2 O6 Sr0.67X4bm12.4292; 12.4292; 7.8524
90; 90; 90
1213.08Surmin, Audrey; Fertey, Pierre; Schaniel, Dominik; Woike, Theo
Modulated structure of potassium sodium strontium barium niobates (KNSBN): harmonic solution
Acta Crystallographica Section B, 2006, 62, 228-235
2100430 CIF
Paper
Cl6 N3 P3P n m a13.8572; 12.8086; 6.0801
90; 90; 90
1079.17Bartlett, Stewart W.; Coles, Simon J.; Davies, David B.; Hursthouse, Michael B.; İbişogundefinedlu, Hanife; Kiliç, Adem; Shaw, Robert A.; Ün, İlker
Structural investigations of phosphorus‒nitrogen compounds. 7. Relationships between physical properties, electron densities, reaction mechanisms and hydrogen-bonding motifs of N~3~P~3~Cl~(6{-~<i>n</i>)}(NHBu^<i>t^</i>)~<i>n~</i> derivatives
Acta Crystallographica Section B, 2006, 62, 321-329
2100431 CIF
Paper
C4 H10 Cl5 N4 P3P 1 21/c 113.8045; 10.7964; 20.7719
90; 104.132; 90
3002.1Bartlett, Stewart W.; Coles, Simon J.; Davies, David B.; Hursthouse, Michael B.; İbişogundefinedlu, Hanife; Kiliç, Adem; Shaw, Robert A.; Ün, İlker
Structural investigations of phosphorus‒nitrogen compounds. 7. Relationships between physical properties, electron densities, reaction mechanisms and hydrogen-bonding motifs of N~3~P~3~Cl~(6{-~<i>n</i>)}(NHBu^<i>t^</i>)~<i>n~</i> derivatives
Acta Crystallographica Section B, 2006, 62, 321-329
2100432 CIF
Paper
C8 H20 Cl4 N5 P3P n a 2120.3441; 11.9481; 15.9661
90; 90; 90
3880.9Bartlett, Stewart W.; Coles, Simon J.; Davies, David B.; Hursthouse, Michael B.; İbişogundefinedlu, Hanife; Kiliç, Adem; Shaw, Robert A.; Ün, İlker
Structural investigations of phosphorus‒nitrogen compounds. 7. Relationships between physical properties, electron densities, reaction mechanisms and hydrogen-bonding motifs of N~3~P~3~Cl~(6{-~<i>n</i>)}(NHBu^<i>t^</i>)~<i>n~</i> derivatives
Acta Crystallographica Section B, 2006, 62, 321-329
2100433 CIF
Paper
C16 H40 Cl2 N7 P3P 1 21/n 112.5207; 16.1282; 13.1311
90; 95.903; 90
2637.59Bartlett, Stewart W.; Coles, Simon J.; Davies, David B.; Hursthouse, Michael B.; İbişogundefinedlu, Hanife; Kiliç, Adem; Shaw, Robert A.; Ün, İlker
Structural investigations of phosphorus‒nitrogen compounds. 7. Relationships between physical properties, electron densities, reaction mechanisms and hydrogen-bonding motifs of N~3~P~3~Cl~(6{-~<i>n</i>)}(NHBu^<i>t^</i>)~<i>n~</i> derivatives
Acta Crystallographica Section B, 2006, 62, 321-329
2100434 CIF
Paper
C4 H8 N2 O3P 1 21/c 18.1233; 9.554; 7.8224
90; 107.596; 90
578.7Moggach, Stephen A.; Allan, David R.; Parsons, Simon; Sawyer, Lindsay
Effect of pressure on the crystal structure of α-glycylglycine to 4.7GPa; application of Hirshfeld surfaces to analyse contacts on increasing pressure
Acta Crystallographica Section B, 2006, 62, 310-320
2100435 CIF
Paper
C4 H8 N2 O3P 1 21/c 17.6428; 9.38; 7.6505
90; 103.882; 90
532.44Moggach, Stephen A.; Allan, David R.; Parsons, Simon; Sawyer, Lindsay
Effect of pressure on the crystal structure of α-glycylglycine to 4.7GPa; application of Hirshfeld surfaces to analyse contacts on increasing pressure
Acta Crystallographica Section B, 2006, 62, 310-320
2100436 CIF
Paper
C4 H8 N2 O3P 1 21/c 17.4304; 9.2896; 7.5943
90; 102.465; 90
511.84Moggach, Stephen A.; Allan, David R.; Parsons, Simon; Sawyer, Lindsay
Effect of pressure on the crystal structure of α-glycylglycine to 4.7GPa; application of Hirshfeld surfaces to analyse contacts on increasing pressure
Acta Crystallographica Section B, 2006, 62, 310-320
2100437 CIF
Paper
C4 H8 N2 O3P 1 21/c 17.31; 9.232; 7.55
90; 101.51; 90
499.3Moggach, Stephen A.; Allan, David R.; Parsons, Simon; Sawyer, Lindsay
Effect of pressure on the crystal structure of α-glycylglycine to 4.7GPa; application of Hirshfeld surfaces to analyse contacts on increasing pressure
Acta Crystallographica Section B, 2006, 62, 310-320
2100438 CIF
Paper
C4 H8 N2 O3P 1 21/c 17.2437; 9.2083; 7.5328
90; 101.214; 90
492.86Moggach, Stephen A.; Allan, David R.; Parsons, Simon; Sawyer, Lindsay
Effect of pressure on the crystal structure of α-glycylglycine to 4.7GPa; application of Hirshfeld surfaces to analyse contacts on increasing pressure
Acta Crystallographica Section B, 2006, 62, 310-320
2100439 CIF
Paper
C27.5 H36.5 Co1.5 N2.5 O9.5C 1 2/c 133.311; 9.834; 18.296
90; 92.35; 90
5988Damgaard Poulsen, Rasmus; Bentien, Anders; Christensen, Mogens; Brummerstedt Iversen, Bo
Solvothermal synthesis, multi-temperature crystal structures and physical properties of isostructural coordination polymers, 2C~4~H~12~N^+^[<i>M</i>~3~(C~8~H~4~O~4~)~4~]^2{-^}·3C~5~H~11~NO, <i>M</i> = Co, Zn
Acta Crystallographica Section B, 2006, 62, 245-254
2100440 CIF
Paper
C27.5 H36.5 N2.5 O9.5 Zn1.5C 1 2/c 133.2613; 9.7844; 18.2156
90; 92.613; 90
5921.96Damgaard Poulsen, Rasmus; Bentien, Anders; Christensen, Mogens; Brummerstedt Iversen, Bo
Solvothermal synthesis, multi-temperature crystal structures and physical properties of isostructural coordination polymers, 2C~4~H~12~N^+^[<i>M</i>~3~(C~8~H~4~O~4~)~4~]^2{-^}·3C~5~H~11~NO, <i>M</i> = Co, Zn
Acta Crystallographica Section B, 2006, 62, 245-254
2100441 CIF
Paper
C27.5 H36.5 N2.5 O9.5 Zn1.5C 1 2/c 133.3307; 9.8105; 18.1988
90; 92.552; 90
5944.94Damgaard Poulsen, Rasmus; Bentien, Anders; Christensen, Mogens; Brummerstedt Iversen, Bo
Solvothermal synthesis, multi-temperature crystal structures and physical properties of isostructural coordination polymers, 2C~4~H~12~N^+^[<i>M</i>~3~(C~8~H~4~O~4~)~4~]^2{-^}·3C~5~H~11~NO, <i>M</i> = Co, Zn
Acta Crystallographica Section B, 2006, 62, 245-254
2100442 CIF
Paper
C27.5 H36.5 N2.5 O9.5 Zn1.5C 1 2/c 133.4193; 9.8455; 18.1908
90; 92.495; 90
5979.64Damgaard Poulsen, Rasmus; Bentien, Anders; Christensen, Mogens; Brummerstedt Iversen, Bo
Solvothermal synthesis, multi-temperature crystal structures and physical properties of isostructural coordination polymers, 2C~4~H~12~N^+^[<i>M</i>~3~(C~8~H~4~O~4~)~4~]^2{-^}·3C~5~H~11~NO, <i>M</i> = Co, Zn
Acta Crystallographica Section B, 2006, 62, 245-254
2100443 CIF
Paper
C27.5 H36.5 N2.5 O9.5 Zn1.5C 1 2/c 133.5639; 9.8791; 18.1814
90; 92.35; 90
6023.54Damgaard Poulsen, Rasmus; Bentien, Anders; Christensen, Mogens; Brummerstedt Iversen, Bo
Solvothermal synthesis, multi-temperature crystal structures and physical properties of isostructural coordination polymers, 2C~4~H~12~N^+^[<i>M</i>~3~(C~8~H~4~O~4~)~4~]^2{-^}·3C~5~H~11~NO, <i>M</i> = Co, Zn
Acta Crystallographica Section B, 2006, 62, 245-254
2100444 CIF
Paper
Ag13.034 As1.179 Cu2.966 S11 Sb0.821P -3 m 17.3876; 7.3876; 11.8882
90; 90; 120
561.89Bindi, Luca; Evain, Michel; Menchetti, Silvio
Temperature dependence of the silver distribution in the crystal structure of natural pearceite, (Ag,Cu)~16~(As,Sb)~2~S~11~
Acta Crystallographica, Section B: Structural Science, 2006, 62, 212-219
2100445 CIF
Paper
Ag13.034 As1.179 Cu2.966 S11 Sb0.821P -3 m 17.3721; 7.3721; 11.8104
90; 90; 120
555.88Bindi, Luca; Evain, Michel; Menchetti, Silvio
Temperature dependence of the silver distribution in the crystal structure of natural pearceite, (Ag,Cu)~16~(As,Sb)~2~S~11~
Acta Crystallographica Section B, 2006, 62, 212-219
2100446 CIF
Paper
Ag12.21 As1.194 Cu3.79 S11 Sb0.806P -3 m 17.389; 7.389; 11.816
90; 90; 120
558.69Bindi, Luca; Evain, Michel; Menchetti, Silvio
Temperature dependence of the silver distribution in the crystal structure of natural pearceite, (Ag,Cu)~16~(As,Sb)~2~S~11~
Acta Crystallographica Section B, 2006, 62, 212-219
2100447 CIF
Paper
C6 H2 Cl4P -13.8016; 10.6369; 9.4866
92.072; 98.966; 96.52
375.91Barnett, Sarah A.; Broder, Charlotte K.; Shankland, Kenneth; David, Bill I. F.; Ibberson, Richard; Tocher, Derek A.
Single-crystal X-ray and neutron powder diffraction investigation of the phase transition in tetrachlorobenzene
Acta Crystallographica Section B, 2006, 62, 287-295
2100448 CIF
Paper
C6 Cl4 D2P -13.76062; 10.58794; 9.44562
92.4066; 98.6978; 97.5893
367.779Barnett, Sarah A.; Broder, Charlotte K.; Shankland, Kenneth; David, Bill I. F.; Ibberson, Richard; Tocher, Derek A.
Single-crystal X-ray and neutron powder diffraction investigation of the phase transition in tetrachlorobenzene
Acta Crystallographica Section B, 2006, 62, 287-295
2100449 CIF
Paper
C6 Cl4 D2P -13.799; 10.6258; 9.47938
91.978; 99.058; 96.234
375.132Barnett, Sarah A.; Broder, Charlotte K.; Shankland, Kenneth; David, Bill I. F.; Ibberson, Richard; Tocher, Derek A.
Single-crystal X-ray and neutron powder diffraction investigation of the phase transition in tetrachlorobenzene
Acta Crystallographica Section B, 2006, 62, 287-295
2100450 CIF
Paper
C6 Cl4 D2P 1 21/n 13.78988; 10.50328; 9.56244
90; 99.7184; 90
375.182Barnett, Sarah A.; Broder, Charlotte K.; Shankland, Kenneth; David, Bill I. F.; Ibberson, Richard; Tocher, Derek A.
Single-crystal X-ray and neutron powder diffraction investigation of the phase transition in tetrachlorobenzene
Acta Crystallographica Section B, 2006, 62, 287-295
2100451 CIF
Paper
C6 Cl4 D2P 1 21/n 13.81117; 10.53867; 9.57198
90; 99.7088; 90
378.949Barnett, Sarah A.; Broder, Charlotte K.; Shankland, Kenneth; David, Bill I. F.; Ibberson, Richard; Tocher, Derek A.
Single-crystal X-ray and neutron powder diffraction investigation of the phase transition in tetrachlorobenzene
Acta Crystallographica Section B, 2006, 62, 287-295
2100452 CIF
Paper
C6 Cl4 D2P 1 21/n 13.85595; 10.61473; 9.59283
90; 99.6884; 90
387.033Barnett, Sarah A.; Broder, Charlotte K.; Shankland, Kenneth; David, Bill I. F.; Ibberson, Richard; Tocher, Derek A.
Single-crystal X-ray and neutron powder diffraction investigation of the phase transition in tetrachlorobenzene
Acta Crystallographica Section B, 2006, 62, 287-295
2100453 CIF
Paper
Ce1.86 In8 RhP 4/m m m4.66516; 4.66516; 12.23763
90; 90; 90
266.336E. G. Moshopoulou; R. M. Ibberson; J. L. Sarrao; J. D. Thompson; Z. Fisk
Structure of Ce~2~RhIn~8~: an example of complementary use of high-resolution neutron powder diffraction and reciprocal-space mapping to study complex materials
Acta Crystallographica Section B, 2006, 62, 173-189
2100454 CIF
Paper
RhF m -3 m3.590966; 3.590966; 3.590966
90; 90; 90
46.3056E. G. Moshopoulou; R. M. Ibberson; J. L. Sarrao; J. D. Thompson; Z. Fisk
Structure of Ce~2~RhIn~8~: an example of complementary use of high-resolution neutron powder diffraction and reciprocal-space mapping to study complex materials
Acta Crystallographica Section B, 2006, 62, 173-189
2100455 CIF
Paper
Ce In3P m -3 m4.69074; 4.69074; 4.69074
90; 90; 90
103.211E. G. Moshopoulou; R. M. Ibberson; J. L. Sarrao; J. D. Thompson; Z. Fisk
Structure of Ce~2~RhIn~8~: an example of complementary use of high-resolution neutron powder diffraction and reciprocal-space mapping to study complex materials
Acta Crystallographica Section B, 2006, 62, 173-189
2100456 CIF
Paper
InI 4/m m m3.25094; 3.25094; 4.9474
90; 90; 90
52.287E. G. Moshopoulou; R. M. Ibberson; J. L. Sarrao; J. D. Thompson; Z. Fisk
Structure of Ce~2~RhIn~8~: an example of complementary use of high-resolution neutron powder diffraction and reciprocal-space mapping to study complex materials
Acta Crystallographica Section B, 2006, 62, 173-189
2100457 CIF
Paper
C2 H6 O4 SI 1 2/a 18.9007; 5.8099; 10.2451
90; 101.69; 90
518.81Acta Crystallographica, Section B, 2006, 62, 280-286
2100458 CIF
Paper
C2 H6 O4 SF d d 212.0568; 15.9176; 5.8001
90; 90; 90
1113.13Acta Crystallographica, Section B, 2006, 62, 280-286
2100459 CIF
Paper
C2 D6 O4 SI2/a8.68731; 5.82756; 9.94376
90; 100.44; 90
495.076Acta Crystallographica, Section B, 2006, 62, 280-286
2100460 CIF
Paper
C24 H38 N2 O6P 15.9642; 10.4125; 11.7403
108.175; 104.56; 104.087
628.08Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts
17 salts of ephedrine: crystal structures and packing analysis
Acta Crystallographica Section B, 2006, 62, 498-505
2100461 CIF
Paper
C16 H25 N O5P 21 21 215.829; 13.544; 21.7
90; 90; 90
1713.17Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts
17 salts of ephedrine: crystal structures and packing analysis
Acta Crystallographica Section B, 2006, 62, 498-505
2100462 CIF
Paper
C16 H21 N O4 SP 1 21 15.7214; 20.8336; 6.9188
90; 98.409; 90
815.84Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts
17 salts of ephedrine: crystal structures and packing analysis
Acta Crystallographica Section B, 2006, 62, 498-505
2100463 CIF
Paper
C22 H36 N2 O8 S2P 1 21 15.7108; 34.0651; 6.659
90; 90.09; 90
1295.43Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts
17 salts of ephedrine: crystal structures and packing analysis
Acta Crystallographica Section B, 2006, 62, 498-505
2100464 CIF
Paper
C10 H15 N OP 21 21 215.6851; 7.7047; 22.4819
90; 90; 90
984.75Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts
17 salts of ephedrine: crystal structures and packing analysis
Acta Crystallographica Section B, 2006, 62, 498-505
2100465 CIF
Paper
C12 H21 N O4 SP 21 21 215.4877; 11.9057; 22.639
90; 90; 90
1479.1Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts
17 salts of ephedrine: crystal structures and packing analysis
Acta Crystallographica Section B, 2006, 62, 498-505
2100466 CIF
Paper
C12 H19 N O4P 1 21 19.5946; 6.0474; 10.8255
90; 101.607; 90
615.28Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts
17 salts of ephedrine: crystal structures and packing analysis
Acta Crystallographica Section B, 2006, 62, 498-505
2100467 CIF
Paper
C10 H16 Cl N OP 1 21 17.2557; 6.1228; 12.5486
90; 102.223; 90
544.84Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts
17 salts of ephedrine: crystal structures and packing analysis
Acta Crystallographica Section B, 2006, 62, 498-505
2100468 CIF
Paper
C10 H16 N O1.5C 2 2 217.3639; 11.2551; 24.1442
90; 90; 90
2001.1Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts
17 salts of ephedrine: crystal structures and packing analysis
Acta Crystallographica Section B, 2006, 62, 498-505
2100469 CIF
Paper
C14 H21 N O6P 1 21 16.1312; 9.1719; 13.7393
90; 100.909; 90
758.66Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts
17 salts of ephedrine: crystal structures and packing analysis
Acta Crystallographica Section B, 2006, 62, 498-505
2100470 CIF
Paper
C14 H21 N O6P 21 21 215.637; 13.495; 20.525
90; 90; 90
1561.36Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts
17 salts of ephedrine: crystal structures and packing analysis
Acta Crystallographica Section B, 2006, 62, 498-505
2100471 CIF
Paper
C11.5 H17 N O3C 1 2 115.119; 5.784; 13.8788
90; 105.765; 90
1168Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts
17 salts of ephedrine: crystal structures and packing analysis
Acta Crystallographica Section B, 2006, 62, 498-505
2100472 CIF
Paper
C11 H19 N O4 SC 1 2 114.287; 6.1075; 14.993
90; 93.211; 90
1306.2Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts
17 salts of ephedrine: crystal structures and packing analysis
Acta Crystallographica Section B, 2006, 62, 498-505
2100473 CIF
Paper
C10 H16 N2 O4P 1 21 15.5309; 6.8501; 15.6906
90; 97.243; 90
589.73Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts
17 salts of ephedrine: crystal structures and packing analysis
Acta Crystallographica Section B, 2006, 62, 498-505
2100474 CIF
Paper
C10 H18 N O5 PC 1 2 114.6992; 5.6433; 15.2432
90; 97.333; 90
1254.11Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts
17 salts of ephedrine: crystal structures and packing analysis
Acta Crystallographica Section B, 2006, 62, 498-505
2100475 CIF
Paper
C10 H17 N O5 SC 1 2 130.9967; 6.9861; 5.617
90; 93.354; 90
1214.26Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts
17 salts of ephedrine: crystal structures and packing analysis
Acta Crystallographica Section B, 2006, 62, 498-505
2100476 CIF
Paper
C14 H23 N O8P 21 21 216.622; 7.462; 33.216
90; 90; 90
1641.31Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts
17 salts of ephedrine: crystal structures and packing analysis
Acta Crystallographica Section B, 2006, 62, 498-505
2100477 CIF
Paper
C24 H42 N2 O11P 15.9373; 7.0594; 18.3791
80.254; 88.527; 66.247
694.14Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts
17 salts of ephedrine: crystal structures and packing analysis
Acta Crystallographica Section B, 2006, 62, 498-505
2100478 CIF
Paper
C17 H23 N O4 SP 21 21 215.7491; 7.1665; 42.0343
90; 90; 90
1731.85Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts
17 salts of ephedrine: crystal structures and packing analysis
Acta Crystallographica Section B, 2006, 62, 498-505
2100479 CIF
Paper
C14 H26 O2P 1 21 15.54; 41.653; 12.025
90; 90.33; 90
2774.8Patrick, Brian O.; Brock, Carolyn Pratt
S,S-1,2-Dicyclohexylethane-1,2-diol and its racemic compound: a striking exception to Wallach's rule
Acta Crystallographica, Section B: Structural Science, 2006, 62, 488-497
2100480 CIF
Paper
C14 H26 O2P 1 21 15.4816; 41.262; 11.954
90; 90.39; 90
2703.7Patrick, Brian O.; Brock, Carolyn Pratt
S,S-1,2-Dicyclohexylethane-1,2-diol and its racemic compound: a striking exception to Wallach's rule
Acta Crystallographica, Section B: Structural Science, 2006, 62, 488-497
2100481 CIF
Paper
C14 H26 O2C 1 2/c 123.153; 11.852; 10.926
90; 104.64; 90
2900.9Patrick, Brian O.; Brock, Carolyn Pratt
S,S-1,2-Dicyclohexylethane-1,2-diol and its racemic compound: a striking exception to Wallach's rule
Acta Crystallographica, Section B: Structural Science, 2006, 62, 488-497
2100482 CIF
Paper
C14 H26 O2C 1 2/c 123.161; 11.584; 10.973
90; 106.1; 90
2828.6Patrick, Brian O.; Brock, Carolyn Pratt
S,S-1,2-Dicyclohexylethane-1,2-diol and its racemic compound: a striking exception to Wallach's rule
Acta Crystallographica, Section B: Structural Science, 2006, 62, 488-497
2100483 CIF
HKL
Paper
C5 H12 O4I -46.0867; 6.0867; 8.4958
90; 90; 90
314.752Elizabeth A.Zhurova; Vladimir G. Tsirelson; Vladimir V. Zhurov; Adam I. Stash; A. Alan Pinkerton
Chemical bonding in pentaerythritol at very low temperature or at high pressure: an experimental and theoretical study
Acta Crystallographica Section B, 2006, 62, 513-520
2100484 CIF
Paper
Ag14.52 Cu1.48 S11 Sb2P 3 2 115.0954; 15.0954; 11.8825
90; 90; 120
2344.9M. Evain; L. Bindi; S. Menchetti
Structural complexity in minerals: twinning, polytypism and disorder in the crystal structure of polybasite, (Ag,Cu)~16~(Sb,As)~2~S~11~
Acta Crystallographica Section B, 2006, 62, 447-456
2100485 CIF
Paper
Ag14.814 Cu1.186 S11 Sb2C 1 2/c 126.188; 15.1199; 23.784
90; 90; 90
9418M. Evain; L. Bindi; S. Menchetti
Structural complexity in minerals: twinning, polytypism and disorder in the crystal structure of polybasite, (Ag,Cu)~16~(Sb,As)~2~S~11~
Acta Crystallographica Section B, 2006, 62, 447-456
2100486 CIF
HKL
Paper
C22 H20 O3P21/c(\a0\g)007.2527; 24.951; 9.8959
90; 106.645; 90
1715.7Cyril A. Fuhre; Kurt Schenk; Robert Häner; Gervais Chapuis; Nicolas Guiblin; Helen Stoeckli-Evans
The incommensurately modulated structure of a tricyclic natural-product-like compound of empirical formula C~22~H~20~O~3~
Acta Crystallographica Section B, 2006, 62, 506-512
2100487 CIF
Paper
C4 H12 Cl2 Pt S2P 1 21/n 18.4637; 6.0176; 10.1812
90; 105.747; 90
499.08Hansson, Christian; Carlson, Stefan; Giveen, Deborah; Johansson, Maria; Yong, Shen; Oskarsson, Åke
<i>Cis</i>/<i>trans</i> isomers of Pt<i>X</i>~2~<i>L</i>~2~ (<i>X</i> = halogen, <i>L</i> = neutral ligand); the crystal structure of <i>trans</i>-dichlorobis(dimethyl sulfide)platinum(II) and the pressure dependence of its unit-cell dimensions
Acta Crystallographica Section B, 2006, 62, 474-479
2100488 CIF
Paper
C4 H12 Cl2 Pt S2P 1 21/n 110.2175; 6.0353; 8.486
90; 105.716; 90
503.73Hansson, Christian; Carlson, Stefan; Giveen, Deborah; Johansson, Maria; Yong, Shen; Oskarsson, Åke
<i>Cis</i>/<i>trans</i> isomers of Pt<i>X</i>~2~<i>L</i>~2~ (<i>X</i> = halogen, <i>L</i> = neutral ligand); the crystal structure of <i>trans</i>-dichlorobis(dimethyl sulfide)platinum(II) and the pressure dependence of its unit-cell dimensions
Acta Crystallographica Section B, 2006, 62, 474-479
2100489 CIF
Paper
C4 H12 Cl2 Pt S2P 1 21/n 18.407; 6.0038; 10.1607
90; 105.829; 90
493.4Hansson, Christian; Carlson, Stefan; Giveen, Deborah; Johansson, Maria; Yong, Shen; Oskarsson, Åke
<i>Cis</i>/<i>trans</i> isomers of Pt<i>X</i>~2~<i>L</i>~2~ (<i>X</i> = halogen, <i>L</i> = neutral ligand); the crystal structure of <i>trans</i>-dichlorobis(dimethyl sulfide)platinum(II) and the pressure dependence of its unit-cell dimensions
Acta Crystallographica Section B, 2006, 62, 474-479
2100490 CIF
Paper
C4 H12 Cl2 Pt S2P 1 21/n 18.3155; 5.9607; 10.1123
90; 106.021; 90
481.76Hansson, Christian; Carlson, Stefan; Giveen, Deborah; Johansson, Maria; Yong, Shen; Oskarsson, Åke
<i>Cis</i>/<i>trans</i> isomers of Pt<i>X</i>~2~<i>L</i>~2~ (<i>X</i> = halogen, <i>L</i> = neutral ligand); the crystal structure of <i>trans</i>-dichlorobis(dimethyl sulfide)platinum(II) and the pressure dependence of its unit-cell dimensions
Acta Crystallographica Section B, 2006, 62, 474-479
2100491 CIF
Paper
C4 H12 Cl2 Pt S2P 1 21/n 18.1889; 5.905; 10.01
90; 106.349; 90
464.47Hansson, Christian; Carlson, Stefan; Giveen, Deborah; Johansson, Maria; Yong, Shen; Oskarsson, Åke
<i>Cis</i>/<i>trans</i> isomers of Pt<i>X</i>~2~<i>L</i>~2~ (<i>X</i> = halogen, <i>L</i> = neutral ligand); the crystal structure of <i>trans</i>-dichlorobis(dimethyl sulfide)platinum(II) and the pressure dependence of its unit-cell dimensions
Acta Crystallographica Section B, 2006, 62, 474-479
2100492 CIF
Paper
C4 H12 Cl2 Pt S2P 1 21/n 17.9633; 5.7915; 9.8203
90; 106.933; 90
433.27Hansson, Christian; Carlson, Stefan; Giveen, Deborah; Johansson, Maria; Yong, Shen; Oskarsson, Åke
<i>Cis</i>/<i>trans</i> isomers of Pt<i>X</i>~2~<i>L</i>~2~ (<i>X</i> = halogen, <i>L</i> = neutral ligand); the crystal structure of <i>trans</i>-dichlorobis(dimethyl sulfide)platinum(II) and the pressure dependence of its unit-cell dimensions
Acta Crystallographica Section B, 2006, 62, 474-479
2100493 CIF
Paper
C4 H12 Cl2 Pt S2P 1 21/n 17.8667; 5.7418; 9.7349
90; 107.299; 90
419.83Hansson, Christian; Carlson, Stefan; Giveen, Deborah; Johansson, Maria; Yong, Shen; Oskarsson, Åke
<i>Cis</i>/<i>trans</i> isomers of Pt<i>X</i>~2~<i>L</i>~2~ (<i>X</i> = halogen, <i>L</i> = neutral ligand); the crystal structure of <i>trans</i>-dichlorobis(dimethyl sulfide)platinum(II) and the pressure dependence of its unit-cell dimensions
Acta Crystallographica Section B, 2006, 62, 474-479
2100494 CIF
Paper
C4 H12 Cl2 Pt S2P 1 21/n 17.8065; 5.7061; 9.6871
90; 107.409; 90
411.74Hansson, Christian; Carlson, Stefan; Giveen, Deborah; Johansson, Maria; Yong, Shen; Oskarsson, Åke
<i>Cis</i>/<i>trans</i> isomers of Pt<i>X</i>~2~<i>L</i>~2~ (<i>X</i> = halogen, <i>L</i> = neutral ligand); the crystal structure of <i>trans</i>-dichlorobis(dimethyl sulfide)platinum(II) and the pressure dependence of its unit-cell dimensions
Acta Crystallographica Section B, 2006, 62, 474-479
2100495 CIF
Paper
C4 H12 Cl2 Pt S2P 1 21/n 17.7447; 5.6735; 9.6219
90; 107.559; 90
403.08Hansson, Christian; Carlson, Stefan; Giveen, Deborah; Johansson, Maria; Yong, Shen; Oskarsson, Åke
<i>Cis</i>/<i>trans</i> isomers of Pt<i>X</i>~2~<i>L</i>~2~ (<i>X</i> = halogen, <i>L</i> = neutral ligand); the crystal structure of <i>trans</i>-dichlorobis(dimethyl sulfide)platinum(II) and the pressure dependence of its unit-cell dimensions
Acta Crystallographica Section B, 2006, 62, 474-479
2100496 CIF
Paper
C4 H12 Cl2 Pt S2P 1 21/n 17.6626; 5.6223; 9.5448
90; 107.815; 90
391.49Hansson, Christian; Carlson, Stefan; Giveen, Deborah; Johansson, Maria; Yong, Shen; Oskarsson, Åke
<i>Cis</i>/<i>trans</i> isomers of Pt<i>X</i>~2~<i>L</i>~2~ (<i>X</i> = halogen, <i>L</i> = neutral ligand); the crystal structure of <i>trans</i>-dichlorobis(dimethyl sulfide)platinum(II) and the pressure dependence of its unit-cell dimensions
Acta Crystallographica Section B, 2006, 62, 474-479
2100497 CIF
Paper
C4 H12 Cl2 Pt S2P 1 21/n 17.6343; 5.6073; 9.5122
90; 107.911; 90
387.46Hansson, Christian; Carlson, Stefan; Giveen, Deborah; Johansson, Maria; Yong, Shen; Oskarsson, Åke
<i>Cis</i>/<i>trans</i> isomers of Pt<i>X</i>~2~<i>L</i>~2~ (<i>X</i> = halogen, <i>L</i> = neutral ligand); the crystal structure of <i>trans</i>-dichlorobis(dimethyl sulfide)platinum(II) and the pressure dependence of its unit-cell dimensions
Acta Crystallographica Section B, 2006, 62, 474-479
2100498 CIF
Paper
C4 H12 Cl2 Pt S2P 1 21/n 17.5999; 5.5911; 9.4814
90; 107.995; 90
383.17Hansson, Christian; Carlson, Stefan; Giveen, Deborah; Johansson, Maria; Yong, Shen; Oskarsson, Åke
<i>Cis</i>/<i>trans</i> isomers of Pt<i>X</i>~2~<i>L</i>~2~ (<i>X</i> = halogen, <i>L</i> = neutral ligand); the crystal structure of <i>trans</i>-dichlorobis(dimethyl sulfide)platinum(II) and the pressure dependence of its unit-cell dimensions
Acta Crystallographica Section B, 2006, 62, 474-479
2100499 CIF
Paper
C4 H12 Cl2 Pt S2P 1 21/n 17.5511; 5.5626; 9.4311
90; 108.221; 90
376.28Hansson, Christian; Carlson, Stefan; Giveen, Deborah; Johansson, Maria; Yong, Shen; Oskarsson, Åke
<i>Cis</i>/<i>trans</i> isomers of Pt<i>X</i>~2~<i>L</i>~2~ (<i>X</i> = halogen, <i>L</i> = neutral ligand); the crystal structure of <i>trans</i>-dichlorobis(dimethyl sulfide)platinum(II) and the pressure dependence of its unit-cell dimensions
Acta Crystallographica Section B, 2006, 62, 474-479
2100500 CIF
Paper
C4 H12 Cl2 Pt S2P 1 21/n 17.5316; 5.553; 9.4148
90; 108.253; 90
373.94Hansson, Christian; Carlson, Stefan; Giveen, Deborah; Johansson, Maria; Yong, Shen; Oskarsson, Åke
<i>Cis</i>/<i>trans</i> isomers of Pt<i>X</i>~2~<i>L</i>~2~ (<i>X</i> = halogen, <i>L</i> = neutral ligand); the crystal structure of <i>trans</i>-dichlorobis(dimethyl sulfide)platinum(II) and the pressure dependence of its unit-cell dimensions
Acta Crystallographica Section B, 2006, 62, 474-479
2100501 CIF
Paper
C4 H12 Cl2 Pt S2P 1 21/n 17.5335; 5.5545; 9.4126
90; 108.256; 90
374.04Hansson, Christian; Carlson, Stefan; Giveen, Deborah; Johansson, Maria; Yong, Shen; Oskarsson, Åke
<i>Cis</i>/<i>trans</i> isomers of Pt<i>X</i>~2~<i>L</i>~2~ (<i>X</i> = halogen, <i>L</i> = neutral ligand); the crystal structure of <i>trans</i>-dichlorobis(dimethyl sulfide)platinum(II) and the pressure dependence of its unit-cell dimensions
Acta Crystallographica Section B, 2006, 62, 474-479
2100502 CIF
Paper
C15 H16 N2 O2P 1 21/n 14.001; 25.09; 12.94
90; 93.65; 90
1296Sharif, Shasad; Powell, Douglas R.; Schagen, David; Steiner, Thomas; Toney, Michael D.; Fogle, Emily; Limbach, Hans-Heinrich
X-ray crystallographic structures of enamine and amine Schiff bases of pyridoxal and its 1:1 hydrogen-bonded complexes with benzoic acid derivatives: evidence for coupled inter- and intramolecular proton transfer
Acta Crystallographica Section B, 2006, 62, 480-487
2100503 CIF
Paper
C22 H21 N3 O6P -17.683; 12.188; 12.562
114.88; 99.61; 96.03
1031.8Sharif, Shasad; Powell, Douglas R.; Schagen, David; Steiner, Thomas; Toney, Michael D.; Fogle, Emily; Limbach, Hans-Heinrich
X-ray crystallographic structures of enamine and amine Schiff bases of pyridoxal and its 1:1 hydrogen-bonded complexes with benzoic acid derivatives: evidence for coupled inter- and intramolecular proton transfer
Acta Crystallographica Section B, 2006, 62, 480-487
2100504 CIF
Paper
C9 H12 N2 O2P 1 21/c 111.046; 4.8739; 18.027
90; 106.728; 90
929.5Sharif, Shasad; Powell, Douglas R.; Schagen, David; Steiner, Thomas; Toney, Michael D.; Fogle, Emily; Limbach, Hans-Heinrich
X-ray crystallographic structures of enamine and amine Schiff bases of pyridoxal and its 1:1 hydrogen-bonded complexes with benzoic acid derivatives: evidence for coupled inter- and intramolecular proton transfer
Acta Crystallographica Section B, 2006, 62, 480-487
2100505 CIF
Paper
C16 H17 N3 O6P 1 21/c 17.113; 11.797; 18.314
90; 94.644; 90
1531.7Sharif, Shasad; Powell, Douglas R.; Schagen, David; Steiner, Thomas; Toney, Michael D.; Fogle, Emily; Limbach, Hans-Heinrich
X-ray crystallographic structures of enamine and amine Schiff bases of pyridoxal and its 1:1 hydrogen-bonded complexes with benzoic acid derivatives: evidence for coupled inter- and intramolecular proton transfer
Acta Crystallographica Section B, 2006, 62, 480-487
2100506 CIF
Paper
C2 Ca F6 O6 S2R -3 :H5.60549; 5.605486; 31.1417
90; 90; 120
847.42Dinnebier, Robert; Sofina, Natalia; Hildebrandt, Lars; Jansen, Martin
Crystal structures of the trifluoromethyl sulfonates M(SO~3~CF~3~)~2~ (M = Mg, Ca, Ba, Zn, Cu) from synchrotron X-ray powder diffraction data
Acta Crystallographica, Section B: Structural Science, 2006, 62, 467-473
2100507 CIF
Paper
C2 Cu F6 O6 S2P -14.98965; 10.7668; 4.82189
103.523; 118.085; 79.459
221.402Dinnebier, Robert; Sofina, Natalia; Hildebrandt, Lars; Jansen, Martin
Crystal structures of the trifluoromethyl sulfonates M(SO~3~CF~3~)~2~ (M = Mg, Ca, Ba, Zn, Cu) from synchrotron X-ray powder diffraction data
Acta Crystallographica, Section B: Structural Science, 2006, 62, 467-473
2100508 CIF
Paper
C2 F6 O6 S2 ZnR -3 :H4.97873; 4.97873; 31.3165
90; 90; 120
672.27Dinnebier, Robert; Sofina, Natalia; Hildebrandt, Lars; Jansen, Martin
Crystal structures of the trifluoromethyl sulfonates M(SO~3~CF~3~)~2~ (M = Mg, Ca, Ba, Zn, Cu) from synchrotron X-ray powder diffraction data
Acta Crystallographica, Section B: Structural Science, 2006, 62, 467-473
2100509 CIF
Paper
C2 F6 Mg O6 S2R -3 :H5.0494; 5.0494; 31.033
90; 90; 120
685.23Dinnebier, Robert; Sofina, Natalia; Hildebrandt, Lars; Jansen, Martin
Crystal structures of the trifluoromethyl sulfonates M(SO~3~CF~3~)~2~ (M = Mg, Ca, Ba, Zn, Cu) from synchrotron X-ray powder diffraction data
Acta Crystallographica, Section B: Structural Science, 2006, 62, 467-473
2100510 CIF
Paper
C2 Ba F6 O6 S2I 1 2/a 121.7505; 4.90797; 9.6949
90; 100.379; 90
1018.01Dinnebier, Robert; Sofina, Natalia; Hildebrandt, Lars; Jansen, Martin
Crystal structures of the trifluoromethyl sulfonates M(SO~3~CF~3~)~2~ (M = Mg, Ca, Ba, Zn, Cu) from synchrotron X-ray powder diffraction data
Acta Crystallographica, Section B: Structural Science, 2006, 62, 467-473
2100511 CIF
Paper
Na2 O7 Si3C2/c(0\b0)s020.416; 6.4987; 4.9294
90; 90.26; 90
654Krüger, Hannes; Kahlenberg, Volker; Friese, Karen
Na~2~Si~3~O~7~: an incommensurate structure with crenel-type modulation functions, refined from a twinned crystal
Acta Crystallographica Section B, 2006, 62, 440-446
2100512 CIF
Paper
Ba2 Nb O6 YF m -3 m8.44114; 8.44114; 8.44114
90; 90; 90
601.455Barnes, Paris W.; Lufaso, Michael W.; Woodward, Patrick M.
Structure determination of <i>A</i>~2~<i>M</i>^3+^TaO~6~ and <i>A</i>~2~<i>M</i>^3+^NbO~6~ ordered perovskites: octahedral tilting and pseudosymmetry
Acta Crystallographica Section B, 2006, 62, 384-396
2100513 CIF
Paper
Al Ca2 Nb O6P 1 21/n 15.37706; 5.41557; 7.6255
90; 89.97; 90
222.053Barnes, Paris W.; Lufaso, Michael W.; Woodward, Patrick M.
Structure determination of <i>A</i>~2~<i>M</i>^3+^TaO~6~ and <i>A</i>~2~<i>M</i>^3+^NbO~6~ ordered perovskites: octahedral tilting and pseudosymmetry
Acta Crystallographica Section B, 2006, 62, 384-396
2100514 CIF
Paper
Ca2 Cr O6 TaP 1 21/n 15.42609; 5.49922; 7.71863
90; 90.017; 90
230.318Barnes, Paris W.; Lufaso, Michael W.; Woodward, Patrick M.
Structure determination of <i>A</i>~2~<i>M</i>^3+^TaO~6~ and <i>A</i>~2~<i>M</i>^3+^NbO~6~ ordered perovskites: octahedral tilting and pseudosymmetry
Acta Crystallographica Section B, 2006, 62, 384-396
2100515 CIF
Paper
Cr O6 Sr2 TaI 4/m5.57516; 5.57516; 7.8808
90; 90; 90
244.954Barnes, Paris W.; Lufaso, Michael W.; Woodward, Patrick M.
Structure determination of <i>A</i>~2~<i>M</i>^3+^TaO~6~ and <i>A</i>~2~<i>M</i>^3+^NbO~6~ ordered perovskites: octahedral tilting and pseudosymmetry
Acta Crystallographica Section B, 2006, 62, 384-396
2100516 CIF
Paper
Ga O6 Sr2 TaI 4/m5.57539; 5.57539; 7.8949
90; 90; 90
245.413Barnes, Paris W.; Lufaso, Michael W.; Woodward, Patrick M.
Structure determination of <i>A</i>~2~<i>M</i>^3+^TaO~6~ and <i>A</i>~2~<i>M</i>^3+^NbO~6~ ordered perovskites: octahedral tilting and pseudosymmetry
Acta Crystallographica Section B, 2006, 62, 384-396
2100517 CIF
Paper
Nb O6 Sc Sr2P 1 21/n 15.7045; 5.6973; 8.0505
90; 90.021; 90
261.643Barnes, Paris W.; Lufaso, Michael W.; Woodward, Patrick M.
Structure determination of <i>A</i>~2~<i>M</i>^3+^TaO~6~ and <i>A</i>~2~<i>M</i>^3+^NbO~6~ ordered perovskites: octahedral tilting and pseudosymmetry
Acta Crystallographica Section B, 2006, 62, 384-396
2100518 CIF
HKL
Paper
C4 H7 N O2P 1 21 16.27983; 7.83799; 5.46295
90; 114.893; 90
243.913Asiloé J. Mora; Michella Brunelli; Andrew N. Fitch; Jonathan Wright; Maria E. Báez; Francisco López-Carrasquero
Structures of (<i>S</i>)-({-})-4-oxo-2-azetidinecarboxylic acid and 3-azetidinecarboxylic acid from powder synchrotron diffraction data
Acta Crystallographica Section B, 2006, 62, 606-611
2100519 CIF
HKL
Paper
C4 H5 N O3P 21 21 218.94684; 7.66956; 7.27555
90; 90; 90
499.236Asiloé J. Mora; Michella Brunelli; Andrew N. Fitch; Jonathan Wright; Maria E. Báez; Francisco López-Carrasquero
Structures of (<i>S</i>)-({-})-4-oxo-2-azetidinecarboxylic acid and 3-azetidinecarboxylic acid from powder synchrotron diffraction data
Acta Crystallographica Section B, 2006, 62, 606-611
2100520 CIF
HKL
Paper
C6 D7 N OI 41/a m d :27.9411; 7.9411; 19.6002
90; 90; 90
1236.01Damay, F.; Carretero-Genevrier, A.; Cousson, A.; Rodriguez-Carvajal, J.; Van Beek, W.; Fillaux, F.
Synchrotron and neutron diffraction study of 4-methylpyridine-<i>N</i>-oxide at low temperature
Acta Crystallographica Section B, 2006, 62, 627-633
2100521 CIF
HKL
Paper
C6 D7 N OF d d d :212.1382; 10.2367; 19.5676
90; 90; 90
2431.37Damay, F.; Carretero-Genevrier, A.; Cousson, A.; Rodriguez-Carvajal, J.; Van Beek, W.; Fillaux, F.
Synchrotron and neutron diffraction study of 4-methylpyridine-<i>N</i>-oxide at low temperature
Acta Crystallographica Section B, 2006, 62, 627-633
2100522 CIF
HKL
Paper
C6 D7 N OP 4115.41038; 15.41038; 19.68
90; 90; 90
4673.6Damay, F.; Carretero-Genevrier, A.; Cousson, A.; Rodriguez-Carvajal, J.; Van Beek, W.; Fillaux, F.
Synchrotron and neutron diffraction study of 4-methylpyridine-<i>N</i>-oxide at low temperature
Acta Crystallographica Section B, 2006, 62, 627-633
2100523 CIF
Paper
C9 H14 N2 O2 SP -17.2934; 7.8145; 10.2181
87.055; 70.569; 72.898
524.22V. Tsirelson; A. Stash; V. Potemkin; A. Rykounov; A. Shutalev; E. Zhurova; V. Zhurov; A. A. Pinkerton; G. Gurskaya; V. Zavodnik
Molecular and crystal properties of ethyl 4,6-dimethyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate from experimental and theoretical electron densities
Acta Crystallographica Section B, 2006, 62, 676-688
2100524 CIF
Paper
C5 H4 N4 OC 1 2/c 122.0427; 3.9311; 14.234
90; 114.885; 90
1118.89Harriott Nowell; Christopher S. Frampton; Julie Waite; Sarah L. Price
Blind crystal structure prediction of a novel second polymorph of 1-hydroxy-7-azabenzotriazole
Acta Crystallographica Section B, 2006, 62, 642-650
2100525 CIF
Paper
C5 H4 N4 OP 1 21/c 13.7487; 20.8881; 7.0982
90; 96.257; 90
552.5Harriott Nowell; Christopher S. Frampton; Julie Waite; Sarah L. Price
Blind crystal structure prediction of a novel second polymorph of 1-hydroxy-7-azabenzotriazole
Acta Crystallographica Section B, 2006, 62, 642-650
2100526 CIF
Paper
C14 H10 N4 O4P 1 21/n 19.1379; 6.1776; 11.7682
90; 93.853; 90
662.82Glidewell, Christopher; Low, John Nicolson; Skakle, Janet M.S.; Wardell, James L.
Isomers and polymorphs of (<i>E</i>,<i>E</i>)-1,4-bis(nitrophenyl)-2,3-diaza-1,3-butadienes
Acta Crystallographica Section B, 2006, 62, 666-675
2100527 CIF
Paper
C14 H10 N4 O4P 1 21/c 17.7809; 14.7825; 6.2196
90; 113.106; 90
658Glidewell, Christopher; Low, John Nicolson; Skakle, Janet M.S.; Wardell, James L.
Isomers and polymorphs of (<i>E</i>,<i>E</i>)-1,4-bis(nitrophenyl)-2,3-diaza-1,3-butadienes
Acta Crystallographica Section B, 2006, 62, 666-675
2100528 CIF
Paper
C14 H10 N4 O4P 1 21 17.8036; 7.0914; 12.3424
90; 101.742; 90
668.72Glidewell, Christopher; Low, John Nicolson; Skakle, Janet M.S.; Wardell, James L.
Isomers and polymorphs of (<i>E</i>,<i>E</i>)-1,4-bis(nitrophenyl)-2,3-diaza-1,3-butadienes
Acta Crystallographica Section B, 2006, 62, 666-675
2100529 CIF
Paper
C14 H10 N4 O4P 1 21/n 17.0128; 7.6318; 12.8037
90; 105.825; 90
659.29Glidewell, Christopher; Low, John Nicolson; Skakle, Janet M.S.; Wardell, James L.
Isomers and polymorphs of (<i>E</i>,<i>E</i>)-1,4-bis(nitrophenyl)-2,3-diaza-1,3-butadienes
Acta Crystallographica Section B, 2006, 62, 666-675
2100530 CIF
Paper
C14 H10 N4 O4C 1 2/c 130.865; 4.766; 21.736
90; 123.926; 90
2653.1Glidewell, Christopher; Low, John Nicolson; Skakle, Janet M.S.; Wardell, James L.
Isomers and polymorphs of (<i>E</i>,<i>E</i>)-1,4-bis(nitrophenyl)-2,3-diaza-1,3-butadienes
Acta Crystallographica Section B, 2006, 62, 666-675
2100531 CIF
Paper
C14 H10 N4 O4P 1 21/n 13.7318; 7.2442; 23.9367
90; 94.053; 90
645.48Glidewell, Christopher; Low, John Nicolson; Skakle, Janet M.S.; Wardell, James L.
Isomers and polymorphs of (<i>E</i>,<i>E</i>)-1,4-bis(nitrophenyl)-2,3-diaza-1,3-butadienes
Acta Crystallographica Section B, 2006, 62, 666-675
2100532 CIF
Paper
C12 H9 Cl N2 OP c c n13.2296; 21.0744; 7.6898
90; 90; 90
2144Cuffini, Silvia; Glidewell, Christopher; Low, John N.; de Oliviera, Aline G.; de Souza, Marcus V. N.; Vasconcelos, Thatyana R. A.; Wardell, Solange M. S. V.; Wardell, James L.
Nine <i>N</i>-aryl-2-chloronicotinamides: supramolecular structures in one, two and three dimensions
Acta Crystallographica Section B, 2006, 62, 651-665
2100533 CIF
Paper
C13 H11 Cl N2 OP -19.6824; 11.3082; 11.5139
77.453; 73.445; 87.978
1179.07Cuffini, Silvia; Glidewell, Christopher; Low, John N.; de Oliviera, Aline G.; de Souza, Marcus V. N.; Vasconcelos, Thatyana R. A.; Wardell, Solange M. S. V.; Wardell, James L.
Nine <i>N</i>-aryl-2-chloronicotinamides: supramolecular structures in one, two and three dimensions
Acta Crystallographica Section B, 2006, 62, 651-665
2100534 CIF
Paper
C12 H10 Cl F N2 O2P -16.8033; 8.1303; 11.5356
84.032; 84.297; 69.569
593.32Cuffini, Silvia; Glidewell, Christopher; Low, John N.; de Oliviera, Aline G.; de Souza, Marcus V. N.; Vasconcelos, Thatyana R. A.; Wardell, Solange M. S. V.; Wardell, James L.
Nine <i>N</i>-aryl-2-chloronicotinamides: supramolecular structures in one, two and three dimensions
Acta Crystallographica Section B, 2006, 62, 651-665
2100535 CIF
Paper
C12 H8 Cl2 N2 OP 1 21 15.0855; 28.982; 15.607
90; 90.37; 90
2300.2Cuffini, Silvia; Glidewell, Christopher; Low, John N.; de Oliviera, Aline G.; de Souza, Marcus V. N.; Vasconcelos, Thatyana R. A.; Wardell, Solange M. S. V.; Wardell, James L.
Nine <i>N</i>-aryl-2-chloronicotinamides: supramolecular structures in one, two and three dimensions
Acta Crystallographica Section B, 2006, 62, 651-665
2100536 CIF
Paper
C12 H8 Br Cl N2 OP 21 21 214.881; 13.3448; 18.3974
90; 90; 90
1198.33Cuffini, Silvia; Glidewell, Christopher; Low, John N.; de Oliviera, Aline G.; de Souza, Marcus V. N.; Vasconcelos, Thatyana R. A.; Wardell, Solange M. S. V.; Wardell, James L.
Nine <i>N</i>-aryl-2-chloronicotinamides: supramolecular structures in one, two and three dimensions
Acta Crystallographica Section B, 2006, 62, 651-665
2100537 CIF
Paper
C12 H8 Cl I N2 OP b c a10.6597; 25.9833; 9.2044
90; 90; 90
2549.38Cuffini, Silvia; Glidewell, Christopher; Low, John N.; de Oliviera, Aline G.; de Souza, Marcus V. N.; Vasconcelos, Thatyana R. A.; Wardell, Solange M. S. V.; Wardell, James L.
Nine <i>N</i>-aryl-2-chloronicotinamides: supramolecular structures in one, two and three dimensions
Acta Crystallographica Section B, 2006, 62, 651-665
2100538 CIF
Paper
C13 H11 Cl N2 O2P 21 21 214.8536; 11.8437; 21.0612
90; 90; 90
1210.69Cuffini, Silvia; Glidewell, Christopher; Low, John N.; de Oliviera, Aline G.; de Souza, Marcus V. N.; Vasconcelos, Thatyana R. A.; Wardell, Solange M. S. V.; Wardell, James L.
Nine <i>N</i>-aryl-2-chloronicotinamides: supramolecular structures in one, two and three dimensions
Acta Crystallographica Section B, 2006, 62, 651-665
2100539 CIF
Paper
C13 H8 Cl N3 OP -17.2885; 7.7607; 20.8849
96.456; 92.913; 91.81
1171.49Cuffini, Silvia; Glidewell, Christopher; Low, John N.; de Oliviera, Aline G.; de Souza, Marcus V. N.; Vasconcelos, Thatyana R. A.; Wardell, Solange M. S. V.; Wardell, James L.
Nine <i>N</i>-aryl-2-chloronicotinamides: supramolecular structures in one, two and three dimensions
Acta Crystallographica Section B, 2006, 62, 651-665
2100540 CIF
Paper
Ca2 Co0.9 O7 Si2 Zn0.1P -423.518; 23.518; 5.0263
90; 90; 90
2780Jia, Zihong. H.; Schaper, Andreas K.; Massa, Werner; Rager, Helmut
Structure and Phase Transitions in Ca~2~CoSi~2~O~7~ ‒ Ca~2~ZnSi~2~O~7~ Solid Solution Crystals
Acta Crystallographica, Section B, 2006, 62, 547-555
2100541 CIF
Paper
Ca2 Co0.9 O7 Si2 Zn0.1P 21 21 223.518; 23.518; 5.0263
90; 90; 90
2780Jia, Zihong. H.; Schaper, Andreas K.; Massa, Werner; Rager, Helmut
Structure and Phase Transitions in Ca~2~CoSi~2~O~7~ ‒ Ca~2~ZnSi~2~O~7~ Solid Solution Crystals
Acta Crystallographica, Section B, 2006, 62, 547-555
2100542 CIF
Paper
C18 H14 Cl N8 O2.5P -16.9825; 15.7877; 17.878
100.232; 95.906; 100.567
1887.81V. Ferretti; L. Pretto; M. A. Tabrizi; P. Gilli
Role of strong intramolecular N—H···N hydrogen bonds in determining the conformation of adenosine-receptor antagonists
Acta Crystallographica Section B, 2006, 62, 634-641
2100543 CIF
Paper
C22 H22 N8 O3P 1 21/c 111.2816; 24.0888; 8.1651
90; 103.917; 90
2153.81V. Ferretti; L. Pretto; M. A. Tabrizi; P. Gilli
Role of strong intramolecular N—H···N hydrogen bonds in determining the conformation of adenosine-receptor antagonists
Acta Crystallographica Section B, 2006, 62, 634-641
2100544 CIF
Paper
C26 H30 N8 O5P -112.6218; 14.0932; 15.6948
72.867; 71.328; 70.635
2439.15V. Ferretti; L. Pretto; M. A. Tabrizi; P. Gilli
Role of strong intramolecular N—H···N hydrogen bonds in determining the conformation of adenosine-receptor antagonists
Acta Crystallographica Section B, 2006, 62, 634-641
2100545 CIF
Paper
C20 H20 N8 O4 SP -110.149; 10.5112; 11.4025
110.185; 97.964; 99.651
1099.89V. Ferretti; L. Pretto; M. A. Tabrizi; P. Gilli
Role of strong intramolecular N—H···N hydrogen bonds in determining the conformation of adenosine-receptor antagonists
Acta Crystallographica Section B, 2006, 62, 634-641
2100546 CIF
Paper
C4 H4 N2 O SP -14.2427; 5.9648; 10.5801
105.736; 94.912; 91.927
256.32Munshi, Parthapratim; Guru Row, T. N.
Intra- and intermolecular interactions in small bioactive molecules: cooperative features from experimental and theoretical charge-density analysis
Acta Crystallographica Section B, 2006, 62, 612-626
2100547 CIF
Paper
C4 H7 N3 O2P 1 21/c 17.7161; 9.8337; 7.5131
90; 100.523; 90
560.49Munshi, Parthapratim; Guru Row, T. N.
Intra- and intermolecular interactions in small bioactive molecules: cooperative features from experimental and theoretical charge-density analysis
Acta Crystallographica Section B, 2006, 62, 612-626
2100548 CIF
Paper
C7 H6 O3P 1 21/c 14.8818; 11.2009; 11.2335
90; 92.621; 90
613.61Munshi, Parthapratim; Guru Row, T. N.
Intra- and intermolecular interactions in small bioactive molecules: cooperative features from experimental and theoretical charge-density analysis
Acta Crystallographica Section B, 2006, 62, 612-626
2100549 CIF
Paper
Cr2 O7 P2C2/m(\a0\g)0s7.0192; 8.4063; 4.6264
90; 108.611; 90
258.708Palatinus, Lukas; Dusek, Michal; El Bali, Brahim; Glaum, Robert
The incommensurately and commensurately modulated crystal structures of chromium(II) diphosphate
Acta Crystallographica Section B, 2006, 62, 556-566
2100550 CIF
Paper
Cr2 O7 P2C2/m(\a0\g)0s7.0464; 8.4073; 4.6394
90; 108.708; 90
260.322Palatinus, Lukas; Dusek, Michal; El Bali, Brahim; Glaum, Robert
The incommensurately and commensurately modulated crystal structures of chromium(II) diphosphate
Acta Crystallographica Section B, 2006, 62, 556-566
2100551 CIF
HKL
Paper
Cr2 O7 P2I 1 2/c 121.1392; 8.4073; 9.2788
90; 108.708; 90
1561.93Palatinus, Lukas; Dusek, Michal; El Bali, Brahim; Glaum, Robert
The incommensurately and commensurately modulated crystal structures of chromium(II) diphosphate
Acta Crystallographica Section B, 2006, 62, 556-566
2100552 CIF
Paper
C5 H6 N2 O SeP 1 21/c 14.3411; 14.756; 9.69
90; 90.157; 90
620.71C. D. Antoniadis; A. J. Blake; S. K. Hadjikakou; N. Hadjiliadis; P. Hubberstey; M. Schröder; C. Wilson
Structural characterization of selenium and selenium-diiodine analogues of the antithyroid drug 6-<i>n</i>-propyl-2-thiouracil and its alkyl derivatives
Acta Crystallographica Section B, 2006, 62, 580-591
2100553 CIF
Paper
C6 H8 N2 O SeP -18.394; 10.029; 14.931
101.023; 100.893; 105.705
1148.5C. D. Antoniadis; A. J. Blake; S. K. Hadjikakou; N. Hadjiliadis; P. Hubberstey; M. Schröder; C. Wilson
Structural characterization of selenium and selenium-diiodine analogues of the antithyroid drug 6-<i>n</i>-propyl-2-thiouracil and its alkyl derivatives
Acta Crystallographica Section B, 2006, 62, 580-591
2100554 CIF
Paper
C7 H10 N2 O SeP b c a10.568; 11.257; 28.79
90; 90; 90
3425C. D. Antoniadis; A. J. Blake; S. K. Hadjikakou; N. Hadjiliadis; P. Hubberstey; M. Schröder; C. Wilson
Structural characterization of selenium and selenium-diiodine analogues of the antithyroid drug 6-<i>n</i>-propyl-2-thiouracil and its alkyl derivatives
Acta Crystallographica Section B, 2006, 62, 580-591
2100555 CIF
Paper
C7 H10 N2 O SeP -18.9192; 10.6403; 15.1965
106.019; 105.366; 96.166
1311C. D. Antoniadis; A. J. Blake; S. K. Hadjikakou; N. Hadjiliadis; P. Hubberstey; M. Schröder; C. Wilson
Structural characterization of selenium and selenium-diiodine analogues of the antithyroid drug 6-<i>n</i>-propyl-2-thiouracil and its alkyl derivatives
Acta Crystallographica Section B, 2006, 62, 580-591
2100556 CIF
Paper
C8 H12 Cl2 N2 O SeP -18.841; 11.259; 12.424
90.45; 105.35; 92.945
1190.7C. D. Antoniadis; A. J. Blake; S. K. Hadjikakou; N. Hadjiliadis; P. Hubberstey; M. Schröder; C. Wilson
Structural characterization of selenium and selenium-diiodine analogues of the antithyroid drug 6-<i>n</i>-propyl-2-thiouracil and its alkyl derivatives
Acta Crystallographica Section B, 2006, 62, 580-591
2100557 CIF
Paper
C7 H10 I2 N2 O SeP -16.603; 7.7; 13.037
75.969; 86.808; 73.113
615.3C. D. Antoniadis; A. J. Blake; S. K. Hadjikakou; N. Hadjiliadis; P. Hubberstey; M. Schröder; C. Wilson
Structural characterization of selenium and selenium-diiodine analogues of the antithyroid drug 6-<i>n</i>-propyl-2-thiouracil and its alkyl derivatives
Acta Crystallographica Section B, 2006, 62, 580-591
2100558 CIF
Paper
C24 H30 N8 O6 Se2P -14.833; 9.797; 14.1796
83.49; 84.431; 89.353
663.91C. D. Antoniadis; A. J. Blake; S. K. Hadjikakou; N. Hadjiliadis; P. Hubberstey; M. Schröder; C. Wilson
Structural characterization of selenium and selenium-diiodine analogues of the antithyroid drug 6-<i>n</i>-propyl-2-thiouracil and its alkyl derivatives
Acta Crystallographica Section B, 2006, 62, 580-591
2100559 CIF
Paper
C28 H34 N8 O4 Se2P -15.0717; 11.8615; 11.9385
83.161; 82.785; 84.358
704.9C. D. Antoniadis; A. J. Blake; S. K. Hadjikakou; N. Hadjiliadis; P. Hubberstey; M. Schröder; C. Wilson
Structural characterization of selenium and selenium-diiodine analogues of the antithyroid drug 6-<i>n</i>-propyl-2-thiouracil and its alkyl derivatives
Acta Crystallographica Section B, 2006, 62, 580-591
2100560 CIF
Paper
C7 H10 N2 O2R -3 :H19.9444; 19.9444; 9.8918
90; 90; 120
3407.6C. D. Antoniadis; A. J. Blake; S. K. Hadjikakou; N. Hadjiliadis; P. Hubberstey; M. Schröder; C. Wilson
Structural characterization of selenium and selenium-diiodine analogues of the antithyroid drug 6-<i>n</i>-propyl-2-thiouracil and its alkyl derivatives
Acta Crystallographica Section B, 2006, 62, 580-591
2100561 CIF
Paper
La O3 Ti0.5 Zn0.5P 1 21/n 17.895; 5.5964; 5.5809
90; 90.034; 90
246.584R. Ubic; Y. Hu; I. Abrahams
Neutron and electron diffraction studies of La(Zn~1/2~Ti~1/2~)O~3~ perovskite
Acta Crystallographica Section B, 2006, 62, 521-529
2100562 CIF
Paper
C6 D10 OP 1 21/n 111.7105; 7.1198; 6.8621
90; 95.5627; 90
569.443R. M. Ibberson
The low-temperature phase III structure and phase transition behaviour of cyclohexanone
Acta Crystallographica Section B, 2006, 62, 592-598
2100563 CIF
Paper
C4 H10 OP -317.55; 17.55; 8.08
90; 90; 120
2155P. A. McGregor; D. R. Allan; S. Parsons; S. J. Clark
Hexamer formation in tertiary butyl alcohol (2-methyl-2-propanol, C4H10O)
Acta Crystallographica, Section B, 2006, 62, 599-605
2100564 CIF
Paper
C4 H10 OP -318.0946; 18.0946; 8.4041
90; 90; 120
2383P. A. McGregor; D. R. Allan; S. Parsons; S. J. Clark
Hexamer formation in tertiary butyl alcohol (2-methyl-2-propanol, C~4~H~10~O)
Acta Crystallographica Section B, 2006, 62, 599-605
2100565 CIF
Paper
C4 H10 OP -16.0631; 9.0661; 14.4494
85.248; 78.531; 75.8
754.136P. A. McGregor; D. R. Allan; S. Parsons; S. J. Clark
Hexamer formation in tertiary butyl alcohol (2-methyl-2-propanol, C4H10O)
Acta Crystallographica, Section B, 2006, 62, 599-605
2100566 CIF
Paper
C4 H10 OP -16.2027; 9.1431; 14.7554
86.373; 78.776; 76.363
797.53P. A. McGregor; D. R. Allan; S. Parsons; S. J. Clark
Hexamer formation in tertiary butyl alcohol (2-methyl-2-propanol, C4H10O)
Acta Crystallographica, Section B, 2006, 62, 599-605
2100567 CIF
Paper
C4 H10 OP -317.4389; 17.4389; 8.021
90; 90; 120
2112.5P. A. McGregor; D. R. Allan; S. Parsons; S. J. Clark
Hexamer formation in tertiary butyl alcohol (2-methyl-2-propanol, C4H10O)
Acta Crystallographica, Section B, 2006, 62, 599-605
2100568 CIF
Paper
C4 H10 OP -317.5898; 17.5898; 8.1014
90; 90; 120
2170.76P. A. McGregor; D. R. Allan; S. Parsons; S. J. Clark
Hexamer formation in tertiary butyl alcohol (2-methyl-2-propanol, C4H10O)
Acta Crystallographica, Section B, 2006, 62, 599-605
2100569 CIF
Paper
Ba Bi O3P 1 21/n 16.1741; 6.12484; 8.6522
90; 90.2691; 90
327.183Kennedy, Brendan J.; Howard, Christopher J.; Knight, Kevin S.; Zhang, Zhaoming; Zhou, Qingdi
Structures and phase transitions in the ordered double perovskites Ba~2~Bi^III^Bi^V^O~6~ and Ba~2~Bi^III^Sb^V^O~6~
Acta Crystallographica Section B, 2006, 62, 537-546
2100570 CIF
Paper
Ba Bi O3I 1 2/m 16.18505; 6.13219; 8.65846
90; 90.2288; 90
328.395Kennedy, Brendan J.; Howard, Christopher J.; Knight, Kevin S.; Zhang, Zhaoming; Zhou, Qingdi
Structures and phase transitions in the ordered double perovskites Ba~2~Bi^III^Bi^V^O~6~ and Ba~2~Bi^III^Sb^V^O~6~
Acta Crystallographica Section B, 2006, 62, 537-546
2100571 CIF
Paper
Ba Bi O3R -3 :H6.17944; 6.17944; 15.0393
90; 90; 120
497.344Kennedy, Brendan J.; Howard, Christopher J.; Knight, Kevin S.; Zhang, Zhaoming; Zhou, Qingdi
Structures and phase transitions in the ordered double perovskites Ba~2~Bi^III^Bi^V^O~6~ and Ba~2~Bi^III^Sb^V^O~6~
Acta Crystallographica Section B, 2006, 62, 537-546
2100572 CIF
Paper
Ba Bi O3F m -3 m8.77586; 8.77586; 8.77586
90; 90; 90
675.879Kennedy, Brendan J.; Howard, Christopher J.; Knight, Kevin S.; Zhang, Zhaoming; Zhou, Qingdi
Structures and phase transitions in the ordered double perovskites Ba~2~Bi^III^Bi^V^O~6~ and Ba~2~Bi^III^Sb^V^O~6~
Acta Crystallographica Section B, 2006, 62, 537-546
2100573 CIF
Paper
Ba2 Bi O6 SbI 1 2/m 16.06777; 6.01862; 8.50818
90; 90.2161; 90
310.713Kennedy, Brendan J.; Howard, Christopher J.; Knight, Kevin S.; Zhang, Zhaoming; Zhou, Qingdi
Structures and phase transitions in the ordered double perovskites Ba~2~Bi^III^Bi^V^O~6~ and Ba~2~Bi^III^Sb^V^O~6~
Acta Crystallographica Section B, 2006, 62, 537-546
2100574 CIF
Paper
Ba2 Bi O6 SbR -3 :H6.05716; 6.05716; 14.7813
90; 90; 120
469.658Kennedy, Brendan J.; Howard, Christopher J.; Knight, Kevin S.; Zhang, Zhaoming; Zhou, Qingdi
Structures and phase transitions in the ordered double perovskites Ba~2~Bi^III^Bi^V^O~6~ and Ba~2~Bi^III^Sb^V^O~6~
Acta Crystallographica Section B, 2006, 62, 537-546
2100575 CIF
Paper
Ba2 Bi O6 SbF m -3 m8.5793; 8.57934; 8.57934
90; 90; 90
631.48Kennedy, Brendan J.; Howard, Christopher J.; Knight, Kevin S.; Zhang, Zhaoming; Zhou, Qingdi
Structures and phase transitions in the ordered double perovskites Ba~2~Bi^III^Bi^V^O~6~ and Ba~2~Bi^III^Sb^V^O~6~
Acta Crystallographica Section B, 2006, 62, 537-546
2100576 CIF
Paper
C12 H15 N3 O6P 63/m10.9992; 10.9992; 6.7639
90; 90; 120
708.68Tremayne, Maryjane; Kariuki, Benson M.; Chong, Samantha Y.; Seaton, Colin C.
Molecular versus crystal symmetry in tri-substituted triazine, benzene and isocyanurate derivatives
Acta Crystallographica, Section B, 2006, 62, 864-874
2100577 CIF
Paper
C9 H15 N3 O6P 21/n10.4105; 13.1294; 8.6735
90; 98.222; 90
1173.34Tremayne, Maryjane; Kariuki, Benson M.; Chong, Samantha Y.; Seaton, Colin C.
Molecular versus crystal symmetry in tri-substituted triazine, benzene and isocyanurate derivatives
Acta Crystallographica, Section B, 2006, 62, 864-874
2100578 CIF
Paper
C12 H15 N3 O6P 63/m10.983; 10.983; 6.7555
90; 90; 120
705.72Tremayne, Maryjane; Kariuki, Benson M.; Chong, Samantha Y.; Seaton, Colin C.
Molecular versus crystal symmetry in tri-substituted triazine, benzene and isocyanurate derivatives
Acta Crystallographica, Section B, 2006, 62, 864-874
2100579 CIF
Paper
C15 H18 O6P 6111.3588; 11.3588; 20.2725
90; 90; 120
2265.18Tremayne, Maryjane; Kariuki, Benson M.; Chong, Samantha Y.; Seaton, Colin C.
Molecular versus crystal symmetry in tri-substituted triazine, benzene and isocyanurate derivatives
Acta Crystallographica, Section B, 2006, 62, 864-874
2100580 CIF
Paper
C9 H10 N2 O2P 1 21/n 14.8591; 14.395; 12.25
90; 92.151; 90
856.2Broder, Charlotte K.; Barnett, Sarah A.; Gutmann, Matthias J.; Shankland, Kenneth; Wilson, Chick C.
Accurate molecular structures and hydrogen bonding in two polymorphs of <i>ortho</i>-acetamidobenzamide by single-crystal neutron diffraction
Acta Crystallographica Section B, 2006, 62, 926-930
2100581 CIF
Paper
C9 H10 N2 O2P 1 21/c 17.788; 8.972; 12.547
90; 101.12; 90
860.2Broder, Charlotte K.; Barnett, Sarah A.; Gutmann, Matthias J.; Shankland, Kenneth; Wilson, Chick C.
Accurate molecular structures and hydrogen bonding in two polymorphs of <i>ortho</i>-acetamidobenzamide by single-crystal neutron diffraction
Acta Crystallographica Section B, 2006, 62, 926-930
2100582 CIF
Paper
C13 H9 I N2 O3P 1 21/c 113.1804; 7.5099; 13.8849
90; 111.163; 90
1281.68Wardell, James L.; Low, John Nicolson; Skakle, Janet M.S.; Glidewell, Christopher
Isomeric N-(iodophenyl)nitrobenzamides form different three-dimensional framework structures
Acta Crystallographica, Section B, 2006, 62, 931-943
2100583 CIF
Paper
C13 H9 I N2 O3P 1 c 110.0528; 4.8703; 13.5719
90; 109.945; 90
624.63Wardell, James L.; Low, John Nicolson; Skakle, Janet M.S.; Glidewell, Christopher
Isomeric N-(iodophenyl)nitrobenzamides form different three-dimensional framework structures
Acta Crystallographica, Section B, 2006, 62, 931-943
2100584 CIF
Paper
C13 H9 I N2 O3P 1 21 111.0552; 8.9521; 12.8921
90; 96.3899; 90
1267.97Wardell, James L.; Low, John Nicolson; Skakle, Janet M.S.; Glidewell, Christopher
Isomeric N-(iodophenyl)nitrobenzamides form different three-dimensional framework structures
Acta Crystallographica, Section B, 2006, 62, 931-943
2100585 CIF
Paper
C13 H9 I N2 O3C 1 c 113.8494; 10.0495; 9.4203
90; 105.235; 90
1265.03Wardell, James L.; Low, John Nicolson; Skakle, Janet M.S.; Glidewell, Christopher
Isomeric N-(iodophenyl)nitrobenzamides form different three-dimensional framework structures
Acta Crystallographica, Section B, 2006, 62, 931-943
2100586 CIF
Paper
C13 H9 I N2 O3P 1 21/n 17.4798; 14.0889; 11.8138
90; 93.259; 90
1242.95Wardell, James L.; Low, John Nicolson; Skakle, Janet M.S.; Glidewell, Christopher
Isomeric N-(iodophenyl)nitrobenzamides form different three-dimensional framework structures
Acta Crystallographica, Section B, 2006, 62, 931-943
2100587 CIF
Paper
C13 H9 I N2 O3P -15.1047; 15.3015; 16.4806
95.356; 95.498; 91.15
1275.23Wardell, James L.; Low, John Nicolson; Skakle, Janet M.S.; Glidewell, Christopher
Isomeric N-(iodophenyl)nitrobenzamides form different three-dimensional framework structures
Acta Crystallographica, Section B, 2006, 62, 931-943
2100588 CIF
Paper
C11 H11 N O5 ZnP -17.9853; 8.959; 9.055
103.228; 100.715; 99.844
604S. M. Hawxwell; H. Adams; L. Brammer
Two-dimensional metal-organic frameworks containing linear dicarboxylates
Acta Crystallographica Section B, 2006, 62, 808-814
2100589 CIF
Paper
C28 H24 O14 Zn3C 1 2/c 119.236; 10.588; 16.247
90; 109.109; 90
3126.7S. M. Hawxwell; H. Adams; L. Brammer
Two-dimensional metal-organic frameworks containing linear dicarboxylates
Acta Crystallographica Section B, 2006, 62, 808-814
2100590 CIF
Paper
C36 H44 N4 O18 Zn3P 1 21/c 112.968; 9.761; 18.336
90; 108.69; 90
2198.6S. M. Hawxwell; H. Adams; L. Brammer
Two-dimensional metal-organic frameworks containing linear dicarboxylates
Acta Crystallographica Section B, 2006, 62, 808-814
2100591 CIF
HKL
Paper
C60 H66 N6 O18 Zn3P 1 21/n 111.777; 14.727; 19.487
90; 101.748; 90
3309S. M. Hawxwell; H. Adams; L. Brammer
Two-dimensional metal-organic frameworks containing linear dicarboxylates
Acta Crystallographica Section B, 2006, 62, 808-814
2100592 CIF
Paper
C3 D7 N O3P 21 21 218.3096; 8.595; 5.4647
90; 90; 90
390.29S. A. Moggach; W. G. Marshall; S. Parsons
High-pressure neutron diffraction study of L-serine-I and L-serine-II, and the structure of L-serine-III at 8.1 GPa
Acta Crystallographica, Section B, 2006, 62, 815-825
2100593 CIF
Paper
C3 D7 N O3P 21 21 216.87; 9.6396; 5.6058
90; 90; 90
371.24S. A. Moggach; W. G. Marshall; S. Parsons
High-pressure neutron diffraction study of L-serine-I and L-serine-II, and the structure of L-serine-III at 8.1 GPa
Acta Crystallographica, Section B, 2006, 62, 815-825
2100594 CIF
Paper
C3 D7 N O3P 21 21 216.6874; 9.5815; 5.5619
90; 90; 90
356.38S. A. Moggach; W. G. Marshall; S. Parsons
High-pressure neutron diffraction study of L-serine-I and L-serine-II, and the structure of L-serine-III at 8.1 GPa
Acta Crystallographica, Section B, 2006, 62, 815-825
2100595 CIF
Paper
C3 D7 N O3P 21 21 216.5477; 9.5405; 5.6092
90; 90; 90
350.4S. A. Moggach; W. G. Marshall; S. Parsons
High-pressure neutron diffraction study of L-serine-I and L-serine-II, and the structure of L-serine-III at 8.1 GPa
Acta Crystallographica, Section B, 2006, 62, 815-825
2100596 CIF
Paper
C3 H4 K N3 O4C 1 2/m 111.037; 16.419; 7.1497
90; 103.68; 90
1258.9G. S. Nichol; W. Clegg; M. J. Gutmann; D. M. Tooke
Stoichiometry-dependent structures: an X-ray and neutron single-crystal diffraction study of the effect of reaction stoichiometry on the crystalline products formed in the potassium‒cyanurate system
Acta Crystallographica Section B, 2006, 62, 798-807
2100597 CIF
Paper
C3 H K2 N3 O3C m c m13.062; 6.62; 6.817
90; 90; 90
589.5G. S. Nichol; W. Clegg; M. J. Gutmann; D. M. Tooke
Stoichiometry-dependent structures: an X-ray and neutron single-crystal diffraction study of the effect of reaction stoichiometry on the crystalline products formed in the potassium‒cyanurate system
Acta Crystallographica Section B, 2006, 62, 798-807
2100598 CIF
Paper
C12 D17 K3 N12 O16C 1 2/m 112.8143; 16.3214; 11.8498
90; 97.52; 90
2457G. S. Nichol; W. Clegg; M. J. Gutmann; D. M. Tooke
Stoichiometry-dependent structures: an X-ray and neutron single-crystal diffraction study of the effect of reaction stoichiometry on the crystalline products formed in the potassium‒cyanurate system
Acta Crystallographica Section B, 2006, 62, 798-807
2100599 CIF
Paper
C12 D17 K3 N12 O16I 1 2/a 112.824; 16.332; 23.713
90; 97.514; 90
4923.8G. S. Nichol; W. Clegg; M. J. Gutmann; D. M. Tooke
Stoichiometry-dependent structures: an X-ray and neutron single-crystal diffraction study of the effect of reaction stoichiometry on the crystalline products formed in the potassium‒cyanurate system
Acta Crystallographica Section B, 2006, 62, 798-807
2100600 CIF
Paper
C12 H16 N12 O16 Rb3C 1 2/m 113.1499; 16.6185; 11.8444
90; 99.584; 90
2552.2G. S. Nichol; W. Clegg; M. J. Gutmann; D. M. Tooke
Stoichiometry-dependent structures: an X-ray and neutron single-crystal diffraction study of the effect of reaction stoichiometry on the crystalline products formed in the potassium‒cyanurate system
Acta Crystallographica Section B, 2006, 62, 798-807
2100601 CIF
Paper
C6 H10 O5P 21 21 216.6614; 13.3104; 7.4914
90; 90; 90
664.232L. Smrcok; M. Sládkovicová; V. Langer; C. C. Wilson; M. Koós
On hydrogen bonding in 1,6-anhydro-β-D-glucopyranose (levoglucosan): X-ray and neutron diffraction and DFT study
Acta Crystallographica, Section B, 2006, 62, 912-918
2100602 CIF
Paper
C6 H10 O5P 21 21 216.656; 13.314; 7.468
90; 90; 90
661.799L. Smrcok; M. Sládkovicová; V. Langer; C. C. Wilson; M. Koós
On hydrogen bonding in 1,6-anhydro-β-D-glucopyranose (levoglucosan): X-ray and neutron diffraction and DFT study
Acta Crystallographica, Section B, 2006, 62, 912-918
2100603 CIF
HKL
Paper
C10 H8P 1 21/a 18.0348; 5.8899; 8.565
90; 123.59; 90
337.65F. P. A. Fabbiani; D. R. Allan; S. Parsons; C. R. Pulham
Exploration of the high-pressure behaviour of polycyclic aromatic hydrocarbons: naphthalene, phenanthrene and pyrene
Acta Crystallographica Section B, 2006, 62, 826-842
2100604 CIF
HKL
Paper
C10 H8P 1 21/a 17.9948; 5.8726; 8.542
90; 123.677; 90
333.74F. P. A. Fabbiani; D. R. Allan; S. Parsons; C. R. Pulham
Exploration of the high-pressure behaviour of polycyclic aromatic hydrocarbons: naphthalene, phenanthrene and pyrene
Acta Crystallographica Section B, 2006, 62, 826-842
2100605 CIF
HKL
Paper
C10 H8P 1 21/a 17.8523; 5.8106; 8.474
90; 124.027; 90
320.44F. P. A. Fabbiani; D. R. Allan; S. Parsons; C. R. Pulham
Exploration of the high-pressure behaviour of polycyclic aromatic hydrocarbons: naphthalene, phenanthrene and pyrene
Acta Crystallographica Section B, 2006, 62, 826-842
2100606 CIF
HKL
Paper
C10 H8P 1 21/a 17.6778; 5.721; 8.395
90; 124.55; 90
303.71F. P. A. Fabbiani; D. R. Allan; S. Parsons; C. R. Pulham
Exploration of the high-pressure behaviour of polycyclic aromatic hydrocarbons: naphthalene, phenanthrene and pyrene
Acta Crystallographica Section B, 2006, 62, 826-842
2100607 CIF
HKL
Paper
C16 H10P 1 21/a 115.35; 3.852; 8.65
90; 103.3; 90
498F. P. A. Fabbiani; D. R. Allan; S. Parsons; C. R. Pulham
Exploration of the high-pressure behaviour of polycyclic aromatic hydrocarbons: naphthalene, phenanthrene and pyrene
Acta Crystallographica Section B, 2006, 62, 826-842
2100608 CIF
HKL
Paper
C16 H10P 1 21/a 115.309; 3.8375; 8.3341
90; 102.606; 90
477.81F. P. A. Fabbiani; D. R. Allan; S. Parsons; C. R. Pulham
Exploration of the high-pressure behaviour of polycyclic aromatic hydrocarbons: naphthalene, phenanthrene and pyrene
Acta Crystallographica Section B, 2006, 62, 826-842
2100609 CIF
Paper
Al Ca SiP -6 m 24.1772; 4.1772; 26.3246
90; 90; 120
397.8K. M. Sparta; R. Müller; M. Merz; G. Roth; P. Adelmann; T. Wolf
Modulated corrugations in the crystal structure of the superconductor CaAlSi
Acta Crystallographica, Section B, 2006, 62, 710-718
2100610 CIF
Paper
Al Ca SiP -6 m 24.1772; 4.1772; 21.9372
90; 90; 120
331.5K. M. Sparta; R. Müller; M. Merz; G. Roth; P. Adelmann; T. Wolf
Modulated corrugations in the crystal structure of the superconductor CaAlSi
Acta Crystallographica, Section B, 2006, 62, 710-718
2100611 CIF
Paper
Ga0.444 O3.556 Ti1.444P2/m(\a1/2\g)004.0904; 2.9755; 4.7359
90; 90.2935; 90
57.6416Michiue, Yuichi; Yamamoto, Akiji; Tanaka, Masahiko
Superspace description of the homologous series Ga~4~Ti~m-4~O~2m-2~ with the crystallographic shear structure based on rutile
Acta Crystallographica, Section B, 2006, 62, 737-744
2100612 CIF
Paper
Cu0.299 Pb0.951 S3.357 Sb0.406 Sn0.851C -13.6733; 6.312; 11.9039
92.484; 90.687; 89.941
275.72M. Evain; V. Petricek; Y. Moëlo; C. Maurel
First (3+2)-dimensional superspace approach to the structure of levyclaudite-(Sb), a member of the cylindrite-type minerals
Acta Crystallographica Section B, 2006, 62, 775-789
2100613 CIF
Paper
C15 H12 O3C 1 2/c 127.299; 5.4343; 17.576
90; 116.215; 90
2339.2V. Bertolasi; L. Pretto; G. Gilli; P. Gilli
π-Bond cooperativity and anticooperativity effects in resonance-assisted hydrogen bonds (RAHBs)
Acta Crystallographica, Section B, 2006, 62, 850-863
2100614 CIF
Paper
C15 H11 Cl O3P 1 21/n 113.932; 5.3108; 17.878
90; 105.137; 90
1276.9V. Bertolasi; L. Pretto; G. Gilli; P. Gilli
π-Bond cooperativity and anticooperativity effects in resonance-assisted hydrogen bonds (RAHBs)
Acta Crystallographica, Section B, 2006, 62, 850-863
2100615 CIF
Paper
C16 H14 O3P c a 2117.602; 6.8423; 21.662
90; 90; 90
2609V. Bertolasi; L. Pretto; G. Gilli; P. Gilli
π-Bond cooperativity and anticooperativity effects in resonance-assisted hydrogen bonds (RAHBs)
Acta Crystallographica, Section B, 2006, 62, 850-863
2100616 CIF
Paper
C16 H13 Cl O3P 1 21/n 114.147; 5.33; 18.618
90; 104.777; 90
1357.4V. Bertolasi; L. Pretto; G. Gilli; P. Gilli
π-Bond cooperativity and anticooperativity effects in resonance-assisted hydrogen bonds (RAHBs)
Acta Crystallographica, Section B, 2006, 62, 850-863
2100617 CIF
Paper
C14 H14 Cl N O6P -15.6849; 9.028; 14.8742
74.923; 83.543; 71.815
699.89V. Bertolasi; L. Pretto; G. Gilli; P. Gilli
π-Bond cooperativity and anticooperativity effects in resonance-assisted hydrogen bonds (RAHBs)
Acta Crystallographica, Section B, 2006, 62, 850-863
2100618 CIF
Paper
C45 H67 N9 O11 SP 21 21 2111.359; 18.383; 23.325
90; 90; 90
4871Altamura, Maria R.; Dapporto Paolo; Fedi, Valentina; Giolitti, Alessandro; Guerri, Annalisa; Guidi, Antonio; Paoli, Paola; Rossi, Patrizia
New monocyclic and acyclic hNK-2 antagonists retaining the β-turn feature. X-ray and molecular modelling studies
Acta Crystallographica, Section B, 2006, 62, 889-896
2100619 CIF
Paper
C37 H48 N4 O4 SP 1 21 114.0346; 9.8834; 25.617
90; 98.152; 90
3517.4Altamura, Maria R.; Dapporto Paolo; Fedi, Valentina; Giolitti, Alessandro; Guerri, Annalisa; Guidi, Antonio; Paoli, Paola; Rossi, Patrizia
New monocyclic and acyclic hNK-2 antagonists retaining the β-turn feature. X-ray and molecular modelling studies
Acta Crystallographica, Section B, 2006, 62, 889-896
2100620 CIF
Paper
C6 H31 N5 O15 P2P 1 21 17.851; 21.976; 11.332
90; 90; 90
1955.2Hołyńska, Małgorzata; Bryndal, Iwona; Lis, Tadeusz
Hypersymmetry in the crystal structure of triammonium bis(O-phospho-L-serinate) trihydrate
Acta Crystallographica, Section B, 2006, 62, 919-925
2100621 CIF
Paper
C6 H31 N5 O15 P2P 21 21 217.851; 21.976; 5.666
90; 90; 90
977.6Hołyńska, Małgorzata; Bryndal, Iwona; Lis, Tadeusz
Hypersymmetry in the crystal structure of triammonium bis(O-phospho-L-serinate) trihydrate
Acta Crystallographica, Section B, 2006, 62, 919-925
2100622 CIF
Paper
C6 H31 N5 O15 P2P 1 21 17.851; 22.048; 11.325
90; 90.04; 90
1960.3Hołyńska, Małgorzata; Bryndal, Iwona; Lis, Tadeusz
Hypersymmetry in the crystal structure of triammonium bis(O-phospho-L-serinate) trihydrate
Acta Crystallographica, Section B, 2006, 62, 919-925
2100623 CIF
Paper
C6 H31 N5 O15 P2P 1 21 17.855; 22.105; 11.317
90; 90.05; 90
1965Hołyńska, Małgorzata; Bryndal, Iwona; Lis, Tadeusz
Hypersymmetry in the crystal structure of triammonium bis(O-phospho-L-serinate) trihydrate
Acta Crystallographica, Section B, 2006, 62, 919-925
2100624 CIF
Paper
C6 H31 N5 O15 P2P 1 21 17.861; 22.163; 11.315
90; 90.06; 90
1971.3Hołyńska, Małgorzata; Bryndal, Iwona; Lis, Tadeusz
Hypersymmetry in the crystal structure of triammonium bis(O-phospho-L-serinate) trihydrate
Acta Crystallographica, Section B, 2006, 62, 919-925
2100625 CIF
Paper
H2 O4 P TlP 1 21/a 114.331; 4.535; 6.514
90; 91.67; 90
423.2Oh, I.H.; Merz, M.; Mattauch, S.; Heger, G.
Structural phase transition and hydrogen ordering of TlH~2~PO~4~ at low temperature
Acta Crystallographica, Section B, 2006, 62, 719-728
2100626 CIF
Paper
H2 O4 P TlP 1 21/a 114.26; 4.517; 6.497
90; 92.19; 90
418.2Oh, I.H.; Merz, M.; Mattauch, S.; Heger, G.
Structural phase transition and hydrogen ordering of TlH~2~PO~4~ at low temperature
Acta Crystallographica, Section B, 2006, 62, 719-728
2100627 CIF
Paper
H8 O16 P4 Tl4C -128.483; 9.016; 6.502
90.09; 92.21; 90.49
1668.4Oh, I.H.; Merz, M.; Mattauch, S.; Heger, G.
Structural phase transition and hydrogen ordering of TlH~2~PO~4~ at low temperature
Acta Crystallographica, Section B, 2006, 62, 719-728
2100628 CIF
Paper
Ag14.585 As0.337 Cu1.415 S8.341 Sb1.663 Se2.659P -3 m 17.595; 7.595; 12.0731
90; 90; 120
603.12M. Evain; L. Bindi; S. Menchetti
Structure and phase transition of the Se-rich variety of antimonpearceite, [(Ag,Cu)6(Sb,As)2(S,Se)7][Ag9Cu(S,Se)2Se2]
Acta Crystallographica, Section B, 2006, 62, 768-774
2100629 CIF
Paper
Ag14.691 Cu1.309 S8.369 Sb2 Se2.631P 1 21/c 113.1426; 7.5879; 23.729
90; 90; 90
2366.4M. Evain; L. Bindi; S. Menchetti
Structure and phase transition of the Se-rich variety of antimonpearceite, [(Ag,Cu)6(Sb,As)2(S,Se)7][Ag9Cu(S,Se)2Se2]
Acta Crystallographica, Section B, 2006, 62, 768-774
2100630 CIF
Paper
C21 H18 O5P 1 21/c 18.367; 8.4724; 23.6852
90; 92.514; 90
1677.39R. Kingsford-Adaboh; B. Dittrich; C. B. Hübschle; W. S. K. Gbewonyo; H. Okamoto; M. Kimura; H. Ishida
Invariom structure refinement, electrostatic potential and toxicity of 4-O-methylalpinumisoflavone, O,O-dimethylalpinumisoflavone and 5-O-methyl-4-O-(3-methylbut-2-en-1-yl)alpinumisoflavone
Acta Crystallographica, Section B, 2006, 62, 843-849
2100631 CIF
Paper
C22 H20 O5P 1 21/n 19.0604; 19.0147; 10.5963
90; 101.333; 90
1789.9R. Kingsford-Adaboh; B. Dittrich; C. B. Hübschle; W. S. K. Gbewonyo; H. Okamoto; M. Kimura; H. Ishida
Invariom structure refinement, electrostatic potential and toxicity of 4-O-methylalpinumisoflavone, O,O-dimethylalpinumisoflavone and 5-O-methyl-4-O-(3-methylbut-2-en-1-yl)alpinumisoflavone
Acta Crystallographica, Section B, 2006, 62, 843-849
2100632 CIF
Paper
C52 H52 O10P n a 2111.9602; 18.6249; 19.9648
90; 90; 90
4447.3R. Kingsford-Adaboh; B. Dittrich; C. B. Hübschle; W. S. K. Gbewonyo; H. Okamoto; M. Kimura; H. Ishida
Invariom structure refinement, electrostatic potential and toxicity of 4-O-methylalpinumisoflavone, O,O-dimethylalpinumisoflavone and 5-O-methyl-4-O-(3-methylbut-2-en-1-yl)alpinumisoflavone
Acta Crystallographica, Section B, 2006, 62, 843-849
2100633 CIF
Paper
C12 H36 Mo8 N4 O30P -112.3378; 14.417; 16.1439
100.927; 106.487; 104.11
2565M. Evain; V. Petricek; V. Coué; R. Dessapt; M. Bujoli-Doeuff; S. Jobic
Commensurate (C6H14N2)2[Mo8O26]·4H2O and incommensurate (C6H14N2)2[Mo8O26]·4.66H2O: a structural versatility linked to solvent content
Acta Crystallographica, Section B, 2006, 62, 790-797
2100634 CIF
Paper
C12 H37.32 Mo8 N4 O30.66P-1(\a\b\g)07.8907; 10.0855; 12.4131
113.685; 92.857; 101.244
878.2M. Evain; V. Petricek; V. Coué; R. Dessapt; M. Bujoli-Doeuff; S. Jobic
Commensurate (C6H14N2)2[Mo8O26]·4H2O and incommensurate (C6H14N2)2[Mo8O26]·4.66H2O: a structural versatility linked to solvent content
Acta Crystallographica, Section B, 2006, 62, 790-797
2100635 CIF
Paper
F3 FeR -3 c :H5.1979; 5.1979; 13.339
90; 90; 120
312.11Jørgensen, Jens-Erik; Smith, R. I.
On the compression mechanism of FeF~3~
Acta Crystallographica Section B, 2006, 62, 987-992
2100636 CIF
Paper
C WP -6 m 22.9034; 2.9034; 2.8397
90; 90; 120
20.731Jørgensen, Jens-Erik; Smith, R. I.
On the Compression Mechanism of FeF3
Acta Crystallographica, Section B, 2006, 62, 987-992
2100637 CIF
Paper
NiF m -3 m3.5451; 3.5451; 3.5451
90; 90; 90
44.56Jørgensen, Jens-Erik; Smith, R. I.
On the Compression Mechanism of FeF3
Acta Crystallographica, Section B, 2006, 62, 987-992
2100638 CIF
Paper
F3 FeR -3 c :H5.0094; 5.0094; 13.3971
90; 90; 120
291.15Jørgensen, Jens-Erik; Smith, R. I.
On the compression mechanism of FeF~3~
Acta Crystallographica Section B, 2006, 62, 987-992
2100639 CIF
Paper
C WP -6 m 22.9039; 2.9039; 2.8293
90; 90; 120
20.662Jørgensen, Jens-Erik; Smith, R. I.
On the Compression Mechanism of FeF3
Acta Crystallographica, Section B, 2006, 62, 987-992
2100640 CIF
Paper
NiF m -3 m3.5359; 3.5359; 3.5359
90; 90; 90
44.21Jørgensen, Jens-Erik; Smith, R. I.
On the Compression Mechanism of FeF3
Acta Crystallographica, Section B, 2006, 62, 987-992
2100641 CIF
Paper
F3 FeR -3 c :H4.919; 4.919; 13.4307
90; 90; 120
281.44Jørgensen, Jens-Erik; Smith, R. I.
On the compression mechanism of FeF~3~
Acta Crystallographica Section B, 2006, 62, 987-992
2100642 CIF
Paper
C WP -6 m 22.896; 2.896; 2.8389
90; 90; 120
20.62Jørgensen, Jens-Erik; Smith, R. I.
On the Compression Mechanism of FeF3
Acta Crystallographica, Section B, 2006, 62, 987-992
2100643 CIF
Paper
NiF m -3 m3.5315; 3.5315; 3.5315
90; 90; 90
44.04Jørgensen, Jens-Erik; Smith, R. I.
On the Compression Mechanism of FeF3
Acta Crystallographica, Section B, 2006, 62, 987-992
2100644 CIF
Paper
F3 FeR -3 c :H4.7683; 4.7683; 13.4386
90; 90; 120
264.61Jørgensen, Jens-Erik; Smith, R. I.
On the compression mechanism of FeF~3~
Acta Crystallographica Section B, 2006, 62, 987-992
2100645 CIF
Paper
C WP -6 m 22.8934; 2.8934; 2.8315
90; 90; 120
20.528Jørgensen, Jens-Erik; Smith, R. I.
On the Compression Mechanism of FeF3
Acta Crystallographica, Section B, 2006, 62, 987-992
2100646 CIF
Paper
NiF m -3 m3.5251; 3.5251; 3.5251
90; 90; 90
43.8Jørgensen, Jens-Erik; Smith, R. I.
On the Compression Mechanism of FeF3
Acta Crystallographica, Section B, 2006, 62, 987-992
2100647 CIF
Paper
F3 FeR -3 c :H4.6866; 4.6866; 13.3677
90; 90; 120
254.27Jørgensen, Jens-Erik; Smith, R. I.
On the compression mechanism of FeF~3~
Acta Crystallographica Section B, 2006, 62, 987-992
2100648 CIF
Paper
C WP -6 m 22.89; 2.89; 2.8212
90; 90; 120
20.406Jørgensen, Jens-Erik; Smith, R. I.
On the Compression Mechanism of FeF3
Acta Crystallographica, Section B, 2006, 62, 987-992
2100649 CIF
Paper
NiF m -3 m3.5194; 3.5194; 3.5194
90; 90; 90
43.59Jørgensen, Jens-Erik; Smith, R. I.
On the Compression Mechanism of FeF3
Acta Crystallographica, Section B, 2006, 62, 987-992
2100650 CIF
Paper
F3 FeR -3 c :H5.1145; 5.1145; 13.347
90; 90; 120
302.36Jørgensen, Jens-Erik; Smith, R. I.
On the compression mechanism of FeF~3~
Acta Crystallographica Section B, 2006, 62, 987-992
2100651 CIF
Paper
C WP -6 m 22.9036; 2.9036; 2.828
90; 90; 120
20.646Jørgensen, Jens-Erik; Smith, R. I.
On the Compression Mechanism of FeF3
Acta Crystallographica, Section B, 2006, 62, 987-992
2100652 CIF
Paper
NiF m -3 m3.54; 3.5398; 3.5398
90; 90; 90
44.36Jørgensen, Jens-Erik; Smith, R. I.
On the Compression Mechanism of FeF3
Acta Crystallographica, Section B, 2006, 62, 987-992
2100653 CIF
Paper
F3 FeR -3 c :H4.9636; 4.9636; 13.419
90; 90; 120
286.32Jørgensen, Jens-Erik; Smith, R. I.
On the compression mechanism of FeF~3~
Acta Crystallographica Section B, 2006, 62, 987-992
2100654 CIF
Paper
C WP -6 m 22.9017; 2.9017; 2.834
90; 90; 120
20.668Jørgensen, Jens-Erik; Smith, R. I.
On the Compression Mechanism of FeF3
Acta Crystallographica, Section B, 2006, 62, 987-992
2100655 CIF
Paper
NiF m -3 m3.533; 3.5327; 3.5327
90; 90; 90
44.09Jørgensen, Jens-Erik; Smith, R. I.
On the Compression Mechanism of FeF3
Acta Crystallographica, Section B, 2006, 62, 987-992
2100656 CIF
Paper
F3 FeR -3 c :H4.84; 4.84; 13.4413
90; 90; 120
272.69Jørgensen, Jens-Erik; Smith, R. I.
On the compression mechanism of FeF~3~
Acta Crystallographica Section B, 2006, 62, 987-992
2100657 CIF
Paper
C WP -6 m 22.8991; 2.8991; 2.834
90; 90; 120
20.624Jørgensen, Jens-Erik; Smith, R. I.
On the Compression Mechanism of FeF3
Acta Crystallographica, Section B, 2006, 62, 987-992
2100658 CIF
Paper
NiF m -3 m3.532; 3.5316; 3.5316
90; 90; 90
44.04Jørgensen, Jens-Erik; Smith, R. I.
On the Compression Mechanism of FeF3
Acta Crystallographica, Section B, 2006, 62, 987-992

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