Crystallography Open Database

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2103646 CIF
HKL
Paper
Cl4 Cs2 HgP 1 21/c 19.7105; 7.4691; 26.8992
90; 90.368; 90
1950.92Bagautdinov, Bagautdin; Jobst, Andreas; Ludecke, Jens; van Smaalen, Sander
Structural basis for the phase transitions of Cs~2~HgCl~4~
Acta Crystallographica Section B, 2001, 57, 231-236
2103647 CIF
HKL
Paper
C11 H22 N2 O6I 1 a 110.398; 8.662; 15.393
90; 93.06; 90
1384.4Saraswathi, N. T.; Manoj, N.; Vijayan, M.
X-ray studies on crystalline complexes involving amino acids and peptides. XXXVII. Novel aggregation patterns and effect of chirality in the complexes of <small>DL</small>- and <small>L</small>-lysine with glutaric acid
Acta Crystallographica Section B, 2001, 57, 366-371
2103648 CIF
HKL
Paper
C11 H22 N2 O6P 319.044; 9.044; 14.943
90; 90; 120
1058.5Saraswathi, N. T.; Manoj, N.; Vijayan, M.
X-ray studies on crystalline complexes involving amino acids and peptides. XXXVII. Novel aggregation patterns and effect of chirality in the complexes of <small>DL</small>- and <small>L</small>-lysine with glutaric acid
Acta Crystallographica Section B, 2001, 57, 366-371
2103649 CIF
HKL
Paper
C22 H22 Co N8 O4P 1 21/n 18.27; 11.579; 25.019
90; 91.42; 90
2395Deák, Andrea; Kálmán, Alajos; Párkányi, László; Haiduc, Ionel
Hydrogen-bonded hexagonal and pseudo-hexagonal grid motifs in supramolecular cobalt(II) and nickel(II) cupferronato complexes incorporating neutral N-donors with intermolecular NH~2~ connectors and solvent molecules
Acta Crystallographica Section B, 2001, 57, 303-310
2103650 CIF
HKL
Paper
C22 H22 N8 Ni O4P 1 21/n 18.321; 11.535; 24.852
90; 91.55; 90
2384.5Deák, Andrea; Kálmán, Alajos; Párkányi, László; Haiduc, Ionel
Hydrogen-bonded hexagonal and pseudo-hexagonal grid motifs in supramolecular cobalt(II) and nickel(II) cupferronato complexes incorporating neutral N-donors with intermolecular NH~2~ connectors and solvent molecules
Acta Crystallographica Section B, 2001, 57, 303-310
2103651 CIF
HKL
Paper
C23 H25 Co N9 O5P -110.225; 10.214; 14.163
73.34; 68.18; 70.45
1271.6Deák, Andrea; Kálmán, Alajos; Párkányi, László; Haiduc, Ionel
Hydrogen-bonded hexagonal and pseudo-hexagonal grid motifs in supramolecular cobalt(II) and nickel(II) cupferronato complexes incorporating neutral N-donors with intermolecular NH~2~ connectors and solvent molecules
Acta Crystallographica Section B, 2001, 57, 303-310
2103652 CIF
Paper
?P -17.45067; 14.1768; 7.21007
97.19; 118.473; 80.6428
659.553Righi, Lara; Calestani, Gianluca; Gemmi, Mauro; Migliori, Andrea; Bettinelli, Marco
Neutron diffraction study of φ-Bi~8~Pb~5~O~17~: structure refinement and analysis of cationic ordering
Acta Crystallographica Section B, 2001, 57, 237-243
2103653 CIF
Paper
C5 H15 Br0.72 Ca Cl1.28 N O4P n m a11.02; 10.27; 10.85
90; 90; 90
1228Vieira, L. G.; Hernandez, O.; Ribeiro, J. L.; Cousson, A.; Kiat, J.-M.; Chaves, M. R.; Almeida, A.; Klöpperpieper, A.
Structure of the X-phase of 38% brominated betaine calcium chloride dihydrate
Acta Crystallographica Section B, 2001, 57, 296-302
2103654 CIF
Paper
C5 H15 Br0.77 Ca Cl1.23 N O411.04; 10.22; 10.55
90; 90; 90
1190Vieira, L. G.; Hernandez, O.; Ribeiro, J. L.; Cousson, A.; Kiat, J.-M.; Chaves, M. R.; Almeida, A.; Klöpperpieper, A.
Structure of the X-phase of 38% brominated betaine calcium chloride dihydrate
Acta Crystallographica Section B, 2001, 57, 296-302
2103655 CIF
Paper
C45 H86 O6P -112.0626; 41.714; 5.4588
73.388; 100.408; 118.274
2314.7van Langevelde, Arjen; Peschar, René; Schenk, Henk
Structure of β-trimyristin and β-tristearin from high-resolution X-ray powder diffraction data
Acta Crystallographica Section B, 2001, 57, 372-377
2103656 CIF
Paper
C57 H110 O6P -112.0053; 51.902; 5.445
73.752; 100.256; 117.691
2879.6van Langevelde, Arjen; Peschar, René; Schenk, Henk
Structure of β-trimyristin and β-tristearin from high-resolution X-ray powder diffraction data
Acta Crystallographica Section B, 2001, 57, 372-377
2103657 CIF
Paper
C13.144 H40.074 N12 O68.226; 8.226; 11.019
90; 90; 120
645.7Peral, I.; Madariaga, G.; Petricek, V.; Breczewski, T.
Superspace description of the structure of the composite crystal urea/<i>n</i>-octane at room temperature
Acta Crystallographica Section B, 2001, 57, 378-385
2103658 CIF
HKL
Paper
C13 H20 N2 O5P 1 21/c 19.4478; 11.7644; 25.9024
90; 101.969; 90
2816.4Burchell, Colin J.; Ferguson, George; Lough, Alan J.; Gregson, Richard M.; Glidewell, Christopher
Hydrated salts of 3,5-dihydroxybenzoic acid with organic diamines: hydrogen-bonded supramolecular structures in two and three dimensions
Acta Crystallographica Section B, 2001, 57, 329-338
2103659 CIF
HKL
Paper
C18 H30 N2 O12P -17.7793; 8.1656; 9.0662
104.981; 97.134; 98.066
543.02Burchell, Colin J.; Ferguson, George; Lough, Alan J.; Gregson, Richard M.; Glidewell, Christopher
Hydrated salts of 3,5-dihydroxybenzoic acid with organic diamines: hydrogen-bonded supramolecular structures in two and three dimensions
Acta Crystallographica Section B, 2001, 57, 329-338
2103660 CIF
HKL
Paper
C16 H24 N2 O10P 1 21/c 18.0804; 10.6021; 11.3988
90; 109.243; 90
921.97Burchell, Colin J.; Ferguson, George; Lough, Alan J.; Gregson, Richard M.; Glidewell, Christopher
Hydrated salts of 3,5-dihydroxybenzoic acid with organic diamines: hydrogen-bonded supramolecular structures in two and three dimensions
Acta Crystallographica Section B, 2001, 57, 329-338
2103661 CIF
HKL
Paper
C7 H14 Li N5 O7C 1 2/c 124.7736; 7.6525; 14.0096
90; 114.375; 90
2419.2Low, John N.; Moreno Sánchez, Jose M.; Arranz Mascarós, Paloma; Godino Salido, M. Luz; López Garzon, Rafael; Cobo Domingo, Justo; Glidewell, Christopher
Hydrated metal complexes of <i>N</i>-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)glycinate: interplay of molecular, molecular‒electronic and supramolecular structures
Acta Crystallographica Section B, 2001, 57, 317-328
2103662 CIF
Paper
C7 H11 N5 Na O5.5P -17.5702; 11.5237; 13.3743
104.435; 97.8415; 103.5
1074.95Low, John N.; Moreno Sánchez, Jose M.; Arranz Mascarós, Paloma; Godino Salido, M. Luz; López Garzon, Rafael; Cobo Domingo, Justo; Glidewell, Christopher
Hydrated metal complexes of <i>N</i>-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)glycinate: interplay of molecular, molecular‒electronic and supramolecular structures
Acta Crystallographica Section B, 2001, 57, 317-328
2103663 CIF
HKL
Paper
C7 H10 K N5 O5P 1 21/c 17.8114; 16.4811; 8.556
90; 100.408; 90
1083.38Low, John N.; Moreno Sánchez, Jose M.; Arranz Mascarós, Paloma; Godino Salido, M. Luz; López Garzon, Rafael; Cobo Domingo, Justo; Glidewell, Christopher
Hydrated metal complexes of <i>N</i>-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)glycinate: interplay of molecular, molecular‒electronic and supramolecular structures
Acta Crystallographica Section B, 2001, 57, 317-328
2103664 CIF
Paper
C14 H36 Mn N10 O18P -17.4476; 8.2351; 12.6372
105.258; 92.153; 108.94
700.8Low, John N.; Moreno Sánchez, Jose M.; Arranz Mascarós, Paloma; Godino Salido, M. Luz; López Garzon, Rafael; Cobo Domingo, Justo; Glidewell, Christopher
Hydrated metal complexes of <i>N</i>-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)glycinate: interplay of molecular, molecular‒electronic and supramolecular structures
Acta Crystallographica Section B, 2001, 57, 317-328
2103665 CIF
Paper
C13.144 H36.502 N12 O9.57214.185; 14.185; 10.978
90; 90; 120
1913Peral, I.; Madariaga, G.; Petříček, V.; Breczewski, T.
Average structure of the composite crystal urea/octanedioic acid at room temperature within the superspace formalism
Acta Crystallographica Section B, 2001, 57, 386-393
2103666 CIF
HKL
Paper
C18 H15.3 N O7.15P 1 21 17.393; 19.95; 12.163
90; 97.77; 90
1777.45Rychlewska, Urszula; Warżajtis, Beata
Interplay between dipolar, stacking and hydrogen-bond interactions in the crystal structures of unsymmetrically substituted esters, amides and nitriles of (<i>R</i>,<i>R</i>)-<i>O</i>,<i>O</i>'-dibenzoyltartaric acid
Acta Crystallographica Section B, 2001, 57, 415-427
2103667 CIF
HKL
Paper
C19 H19 N O8P 21 21 218.7977; 10.752; 20.177
90; 90; 90
1908.6Rychlewska, Urszula; Warżajtis, Beata
Interplay between dipolar, stacking and hydrogen-bond interactions in the crystal structures of unsymmetrically substituted esters, amides and nitriles of (<i>R</i>,<i>R</i>)-<i>O</i>,<i>O</i>'-dibenzoyltartaric acid
Acta Crystallographica Section B, 2001, 57, 415-427
2103668 CIF
HKL
Paper
C20 H19 N O7P 21 21 218.6699; 12.0105; 18.657
90; 90; 90
1942.8Rychlewska, Urszula; Warżajtis, Beata
Interplay between dipolar, stacking and hydrogen-bond interactions in the crystal structures of unsymmetrically substituted esters, amides and nitriles of (<i>R</i>,<i>R</i>)-<i>O</i>,<i>O</i>'-dibenzoyltartaric acid
Acta Crystallographica Section B, 2001, 57, 415-427
2103669 CIF
HKL
Paper
C20 H20 N2 O6P 21 21 218.9153; 11.758; 17.976
90; 90; 90
1884.4Rychlewska, Urszula; Warżajtis, Beata
Interplay between dipolar, stacking and hydrogen-bond interactions in the crystal structures of unsymmetrically substituted esters, amides and nitriles of (<i>R</i>,<i>R</i>)-<i>O</i>,<i>O</i>'-dibenzoyltartaric acid
Acta Crystallographica Section B, 2001, 57, 415-427
2103670 CIF
HKL
Paper
C21 H22 N2 O6P 1 21 18.901; 11.272; 10.414
90; 99.47; 90
1030.62Rychlewska, Urszula; Warżajtis, Beata
Interplay between dipolar, stacking and hydrogen-bond interactions in the crystal structures of unsymmetrically substituted esters, amides and nitriles of (<i>R</i>,<i>R</i>)-<i>O</i>,<i>O</i>'-dibenzoyltartaric acid
Acta Crystallographica Section B, 2001, 57, 415-427
2103671 CIF
HKL
Paper
C19 H17 N O7P 21 21 217.193; 14.515; 18.083
90; 90; 90
1888Rychlewska, Urszula; Warżajtis, Beata
Interplay between dipolar, stacking and hydrogen-bond interactions in the crystal structures of unsymmetrically substituted esters, amides and nitriles of (<i>R</i>,<i>R</i>)-<i>O</i>,<i>O</i>'-dibenzoyltartaric acid
Acta Crystallographica Section B, 2001, 57, 415-427
2103672 CIF
HKL
Paper
C21 H21 N O7P 1 21 18.127; 14.109; 8.733
90; 97.97; 90
991.7Rychlewska, Urszula; Warżajtis, Beata
Interplay between dipolar, stacking and hydrogen-bond interactions in the crystal structures of unsymmetrically substituted esters, amides and nitriles of (<i>R</i>,<i>R</i>)-<i>O</i>,<i>O</i>'-dibenzoyltartaric acid
Acta Crystallographica Section B, 2001, 57, 415-427
2103673 CIF
HKL
Paper
C20 H18 N2 O5P 1 21 17.749; 14.144; 9.063
90; 110.34; 90
931.4Rychlewska, Urszula; Warżajtis, Beata
Interplay between dipolar, stacking and hydrogen-bond interactions in the crystal structures of unsymmetrically substituted esters, amides and nitriles of (<i>R</i>,<i>R</i>)-<i>O</i>,<i>O</i>'-dibenzoyltartaric acid
Acta Crystallographica Section B, 2001, 57, 415-427
2103674 CIF
Paper
C6 H6 N2 O2P c a 2118.873; 6.5212; 4.998
90; 90; 90
615.13Wójcik, Grażyna; Holband, Jolanta
Variable-temperature crystal structure studies of <i>m</i>-nitroaniline
Acta Crystallographica Section B, 2001, 57, 346-352
2103675 CIF
Paper
C63 H119.65 O37.13P 21 21 2114.636; 21.637; 23.45
90; 90; 90
7426Makedonopoulou, Stella; Yannakopoulou, Konstantina; Mentzafos, Demetrios; Lamzin, Victor; Popov, Alexander; Mavridis, Irene M.
Non-covalent interactions in the crystallization of the enantiomers of 1,7-dioxaspiro[5.5]undecane (olive fly sex pheromone) by enantiospecific cyclodextrin hosts, hexakis(2,3,6-tri-<i>O</i>-methyl)-α-cyclodextrin and heptakis(2,3,6-tri-<i>O</i>-methyl)-β-cyclodextrin
Acta Crystallographica Section B, 2001, 57, 399-409
2103676 CIF
Paper
C72 H129.14 O37.57P 21 21 2110.936; 25.53; 29.64
90; 90; 90
8275Makedonopoulou, Stella; Yannakopoulou, Konstantina; Mentzafos, Demetrios; Lamzin, Victor; Popov, Alexander; Mavridis, Irene M.
Non-covalent interactions in the crystallization of the enantiomers of 1,7-dioxaspiro[5.5]undecane (olive fly sex pheromone) by enantiospecific cyclodextrin hosts, hexakis(2,3,6-tri-<i>O</i>-methyl)-α-cyclodextrin and heptakis(2,3,6-tri-<i>O</i>-methyl)-β-cyclodextrin
Acta Crystallographica Section B, 2001, 57, 399-409
2103677 CIF
HKL
Paper
C8 H8 Cu N6 O6P c a 219.991; 8.531; 14.359
90; 90; 90
1223.9Yasui, Masanori; Ishikawa, Yoshimitsu; Akiyama, Naoya; Ishida, Takayuki; Nogami, Takashi; Iwasaki, Fujiko
Dipyrimidine‒copper(II) dinitrate complexes showing magnetic interactions
Acta Crystallographica Section B, 2001, 57, 288-295
2103678 CIF
HKL
Paper
C8 H8 Cu N6 O6P c a 2110; 8.4519; 14.187
90; 90; 90
1199.1Yasui, Masanori; Ishikawa, Yoshimitsu; Akiyama, Naoya; Ishida, Takayuki; Nogami, Takashi; Iwasaki, Fujiko
Dipyrimidine‒copper(II) dinitrate complexes showing magnetic interactions
Acta Crystallographica Section B, 2001, 57, 288-295
2103679 CIF
HKL
Paper
C4 H8 Cu N4 O8C 1 2/c 112.408; 11.511; 7.518
90; 114.99; 90
973.3Yasui, Masanori; Ishikawa, Yoshimitsu; Akiyama, Naoya; Ishida, Takayuki; Nogami, Takashi; Iwasaki, Fujiko
Dipyrimidine‒copper(II) dinitrate complexes showing magnetic interactions
Acta Crystallographica Section B, 2001, 57, 288-295
2103680 CIF
HKL
Paper
C8 H12 Cu N6 O8P 1 21/a 17.1658; 14.105; 7.5358
90; 114.324; 90
694.1Yasui, Masanori; Ishikawa, Yoshimitsu; Akiyama, Naoya; Ishida, Takayuki; Nogami, Takashi; Iwasaki, Fujiko
Dipyrimidine‒copper(II) dinitrate complexes showing magnetic interactions
Acta Crystallographica Section B, 2001, 57, 288-295
2103681 CIF
Paper
C8 H2 Cl4 K2 O8P 15.083; 7.881; 8.863
81.72; 84.78; 89.59
349.9Olovsson, I.; Ptasiewicz-Bak, H.; Gustafsson, T.; Majerz, I.
Asymmetric hydrogen bonds in centrosymmetric environment: neutron study of very short hydrogen bonds in potassium hydrogen dichloromaleate
Acta Crystallographica Section B, 2001, 57, 311-316
2103682 CIF
Paper
C8 H2 Cl4 K2 O8P 15.022; 7.827; 8.838
80.99; 85.13; 88.95
341.9Olovsson, I.; Ptasiewicz-Bak, H.; Gustafsson, T.; Majerz, I.
Asymmetric hydrogen bonds in centrosymmetric environment: neutron study of very short hydrogen bonds in potassium hydrogen dichloromaleate
Acta Crystallographica Section B, 2001, 57, 311-316
2103683 CIF
Paper
Ca2 Co O7 Si2P 21 21 223.51; 23.51; 5.025
90; 90; 90
2777.4Hagiya, Kenji; Kusaka, Katsuhiro; Ohmasa, Masaaki; Iishi, Kazuaki
Commensurate structure of Ca~2~CoSi~2~O~7~, a new twinned orthorhombic structure
Acta Crystallographica Section B, 2001, 57, 271-277
2103684 CIF
Paper
C10 H8 Br4 O4P 42/n c m :212.6551; 12.6551; 8.734
90; 90; 90
1398.8Bilton, Clair; Howard, Judith A. K.; Madhavi, N. N. L.; Desiraju, Gautam R.; Allen, Frank H.; Wilson, Chick C.
Crystal engineering in the <i>gem</i>-alkynol family: the key role of water in the structure of 2,3,5,6-tetrabromo-<i>trans</i>-1,4-diethynyl-cyclohexa-2,5-diene-1,4-diol dihydrate determined by X-ray and neutron diffraction at 150K
Acta Crystallographica Section B, 2001, 57, 560-566
2103685 CIF
HKL
Paper
C10 H8 Br4 O4P 42/n c m :212.6551; 12.6551; 8.734
90; 90; 90
1398.8Bilton, Clair; Howard, Judith A. K.; Madhavi, N. N. L.; Desiraju, Gautam R.; Allen, Frank H.; Wilson, Chick C.
Crystal engineering in the <i>gem</i>-alkynol family: the key role of water in the structure of 2,3,5,6-tetrabromo-<i>trans</i>-1,4-diethynyl-cyclohexa-2,5-diene-1,4-diol dihydrate determined by X-ray and neutron diffraction at 150K
Acta Crystallographica Section B, 2001, 57, 560-566
2103686 CIF
Paper
C8 H16 N2 O3 SP 1 21/c 113.089; 5.329; 15.921
90; 108.57; 90
1052.7Guillot, Régis; Muzet, Nicolas; Dahaoui, Slimane; Lecomte, Claude; Jelsch, Christian
Experimental and theoretical charge density of <small>DL</small>-alanyl-methionine
Acta Crystallographica Section B, 2001, 57, 567-578
2103687 CIF
HKL
Paper
C10 H10 Li2 O8 S2P 1 21/c 110.8901; 7.8842; 8.0619
90; 104.228; 90
670.96Cai, Jiwen; Chen, Cai-Hong; Liao, Cheng-Zhu; Feng, Xiao-Long; Chen, Xiao-Ming
Solid-state structures of group 1 and group 2 metal 1,5-naphthalenedisulfonates: systematic investigation of lamellar three-dimensional networks constructed by metal arenedisulfonate
Acta Crystallographica Section B, 2001, 57, 520-530
2103688 CIF
HKL
Paper
C10 H10 Na2 O8 S2P 1 21/c 111.6398; 5.5507; 10.7148
90; 96.187; 90
688.24Cai, Jiwen; Chen, Cai-Hong; Liao, Cheng-Zhu; Feng, Xiao-Long; Chen, Xiao-Ming
Solid-state structures of group 1 and group 2 metal 1,5-naphthalenedisulfonates: systematic investigation of lamellar three-dimensional networks constructed by metal arenedisulfonate
Acta Crystallographica Section B, 2001, 57, 520-530
2103689 CIF
HKL
Paper
C10 H10 K2 O8 S2P 1 21/c 111.0278; 8.5748; 7.9845
90; 102.631; 90
736.8Cai, Jiwen; Chen, Cai-Hong; Liao, Cheng-Zhu; Feng, Xiao-Long; Chen, Xiao-Ming
Solid-state structures of group 1 and group 2 metal 1,5-naphthalenedisulfonates: systematic investigation of lamellar three-dimensional networks constructed by metal arenedisulfonate
Acta Crystallographica Section B, 2001, 57, 520-530
2103690 CIF
HKL
Paper
C10 H18 Mg O12 S2P 1 21/c 113.1955; 6.6981; 9.6616
90; 92.304; 90
853.25Cai, Jiwen; Chen, Cai-Hong; Liao, Cheng-Zhu; Feng, Xiao-Long; Chen, Xiao-Ming
Solid-state structures of group 1 and group 2 metal 1,5-naphthalenedisulfonates: systematic investigation of lamellar three-dimensional networks constructed by metal arenedisulfonate
Acta Crystallographica Section B, 2001, 57, 520-530
2103691 CIF
HKL
Paper
C10 H10 Ca O8 S2P -17.8971; 8.175; 11.2358
73.945; 83.063; 83.435
689.48Cai, Jiwen; Chen, Cai-Hong; Liao, Cheng-Zhu; Feng, Xiao-Long; Chen, Xiao-Ming
Solid-state structures of group 1 and group 2 metal 1,5-naphthalenedisulfonates: systematic investigation of lamellar three-dimensional networks constructed by metal arenedisulfonate
Acta Crystallographica Section B, 2001, 57, 520-530
2103692 CIF
HKL
Paper
C10 H8 O7 S2 SrP n m a9.5424; 21.705; 5.8137
90; 90; 90
1204.1Cai, Jiwen; Chen, Cai-Hong; Liao, Cheng-Zhu; Feng, Xiao-Long; Chen, Xiao-Ming
Solid-state structures of group 1 and group 2 metal 1,5-naphthalenedisulfonates: systematic investigation of lamellar three-dimensional networks constructed by metal arenedisulfonate
Acta Crystallographica Section B, 2001, 57, 520-530
2103693 CIF
HKL
Paper
C10 H8 Ba O7 S2P n m a9.7662; 22.08; 5.987
90; 90; 90
1291Cai, Jiwen; Chen, Cai-Hong; Liao, Cheng-Zhu; Feng, Xiao-Long; Chen, Xiao-Ming
Solid-state structures of group 1 and group 2 metal 1,5-naphthalenedisulfonates: systematic investigation of lamellar three-dimensional networks constructed by metal arenedisulfonate
Acta Crystallographica Section B, 2001, 57, 520-530
2103694 CIF
HKL
Paper
C25 H14 N2 O4P 1 21/c 17.758; 15.55; 17.179
90; 110.72; 90
1938.4Xia, Aibing; Selegue, John P.; Carrillo, Alberto; Patrick, Brian O.; Parkin, Sean; Brock, Carolyn Pratt
Two fluoradene derivatives: pseudosymmetry, eccentric ellipsoids and a phase transition
Acta Crystallographica Section B, 2001, 57, 507-516
2103695 CIF
HKL
Paper
C25 H14 N2 O4P 1 21/c 115.444; 15.513; 17.111
90; 110.04; 90
3851.3Xia, Aibing; Selegue, John P.; Carrillo, Alberto; Patrick, Brian O.; Parkin, Sean; Brock, Carolyn Pratt
Two fluoradene derivatives: pseudosymmetry, eccentric ellipsoids and a phase transition
Acta Crystallographica Section B, 2001, 57, 507-516
2103696 CIF
HKL
Paper
C25 H14 N2 O4P 1 21/c 115.383; 15.424; 17.026
90; 109.31; 90
3812.5Xia, Aibing; Selegue, John P.; Carrillo, Alberto; Patrick, Brian O.; Parkin, Sean; Brock, Carolyn Pratt
Two fluoradene derivatives: pseudosymmetry, eccentric ellipsoids and a phase transition
Acta Crystallographica Section B, 2001, 57, 507-516
2103697 CIF
HKL
Paper
C25 H14 N2 O4P 1 21/c 115.372; 15.414; 17.004
90; 109.24; 90
3804Xia, Aibing; Selegue, John P.; Carrillo, Alberto; Patrick, Brian O.; Parkin, Sean; Brock, Carolyn Pratt
Two fluoradene derivatives: pseudosymmetry, eccentric ellipsoids and a phase transition
Acta Crystallographica Section B, 2001, 57, 507-516
2103698 CIF
HKL
Paper
C28 H32 SiP -18.012; 16.171; 18.28
80.78; 83.45; 84.07
2313.8Xia, Aibing; Selegue, John P.; Carrillo, Alberto; Patrick, Brian O.; Parkin, Sean; Brock, Carolyn Pratt
Two fluoradene derivatives: pseudosymmetry, eccentric ellipsoids and a phase transition
Acta Crystallographica Section B, 2001, 57, 507-516
2103699 CIF
HKL
Paper
C25 H14 N2 O4P 1 21/c 17.722; 15.513; 17.111
90; 110.04; 90
1925.6Xia, Aibing; Selegue, John P.; Carrillo, Alberto; Patrick, Brian O.; Parkin, Sean; Brock, Carolyn Pratt
Two fluoradene derivatives: pseudosymmetry, eccentric ellipsoids and a phase transition
Acta Crystallographica Section B, 2001, 57, 507-516
2103700 CIF
HKL
Paper
C28 H32 SiB -18.012; 16.171; 18.28
80.78; 83.45; 84.07
2313.8Xia, Aibing; Selegue, John P.; Carrillo, Alberto; Patrick, Brian O.; Parkin, Sean; Brock, Carolyn Pratt
Two fluoradene derivatives: pseudosymmetry, eccentric ellipsoids and a phase transition
Acta Crystallographica Section B, 2001, 57, 507-516
2103701 CIF
HKL
Paper
C16 H23 Co N6 O4P 1 21 116.0665; 12.5929; 9.644
90; 94.626; 90
1944.9Ohhara, Takashi; Uekusa, Hidehiro; Ohashi, Yuji; Tanaka, Ichiro; Kumazawa, Shintaro; Niimura, Nobuo
Direct observation of deuterium migration in crystalline-state reaction by single-crystal neutron diffraction. III. Photoracemization of 1-cyanoethyl cobaloxime complexes
Acta Crystallographica Section B, 2001, 57, 551-559
2103702 CIF
HKL
Paper
C16 H23 Co N6 O4P 1 21 116.023; 12.6272; 9.628
90; 94.23; 90
1942.7Ohhara, Takashi; Uekusa, Hidehiro; Ohashi, Yuji; Tanaka, Ichiro; Kumazawa, Shintaro; Niimura, Nobuo
Direct observation of deuterium migration in crystalline-state reaction by single-crystal neutron diffraction. III. Photoracemization of 1-cyanoethyl cobaloxime complexes
Acta Crystallographica Section B, 2001, 57, 551-559
2103703 CIF
HKL
Paper
C16 H22 Co D N6 O4P 1 21 116.023; 12.627; 9.628
90; 94.23; 90
1942.7Ohhara, Takashi; Uekusa, Hidehiro; Ohashi, Yuji; Tanaka, Ichiro; Kumazawa, Shintaro; Niimura, Nobuo
Direct observation of deuterium migration in crystalline-state reaction by single-crystal neutron diffraction. III. Photoracemization of 1-cyanoethyl cobaloxime complexes
Acta Crystallographica Section B, 2001, 57, 551-559
2103704 CIF
HKL
Paper
C16 H29 Co N6 O4P 21 21 2111.4309; 11.6591; 30.701
90; 90; 90
4091.6Ohhara, Takashi; Uekusa, Hidehiro; Ohashi, Yuji; Tanaka, Ichiro; Kumazawa, Shintaro; Niimura, Nobuo
Direct observation of deuterium migration in crystalline-state reaction by single-crystal neutron diffraction. III. Photoracemization of 1-cyanoethyl cobaloxime complexes
Acta Crystallographica Section B, 2001, 57, 551-559
2103705 CIF
HKL
Paper
C16 H29 Co N6 O4P 21 21 2111.4039; 11.7354; 30.7446
90; 90; 90
4114.53Ohhara, Takashi; Uekusa, Hidehiro; Ohashi, Yuji; Tanaka, Ichiro; Kumazawa, Shintaro; Niimura, Nobuo
Direct observation of deuterium migration in crystalline-state reaction by single-crystal neutron diffraction. III. Photoracemization of 1-cyanoethyl cobaloxime complexes
Acta Crystallographica Section B, 2001, 57, 551-559
2103706 CIF
HKL
Paper
C16 H28 Co D N6 O4P 21 21 2111.4039; 11.7354; 30.7446
90; 90; 90
4114.53Ohhara, Takashi; Uekusa, Hidehiro; Ohashi, Yuji; Tanaka, Ichiro; Kumazawa, Shintaro; Niimura, Nobuo
Direct observation of deuterium migration in crystalline-state reaction by single-crystal neutron diffraction. III. Photoracemization of 1-cyanoethyl cobaloxime complexes
Acta Crystallographica Section B, 2001, 57, 551-559
2103707 CIF
HKL
Paper
C6 H11 N O2P 1 21/c 111.693; 7.225; 7.902
90; 103.7; 90
648.6Kálmán, Alajos; Argay, Gyula; Fábián, László; Bernáth, Gábor; Fülöp, Ferenc
Basic forms of supramolecular self-assembly organized by parallel and antiparallel hydrogen bonds in the racemic crystal structures of six disubstituted and trisubstituted cyclopentane derivatives
Acta Crystallographica Section B, 2001, 57, 539-550
2103708 CIF
HKL
Paper
C6 H11 N O2P c a 219.879; 8.41; 8.25
90; 90; 90
685.4Kálmán, Alajos; Argay, Gyula; Fábián, László; Bernáth, Gábor; Fülöp, Ferenc
Basic forms of supramolecular self-assembly organized by parallel and antiparallel hydrogen bonds in the racemic crystal structures of six disubstituted and trisubstituted cyclopentane derivatives
Acta Crystallographica Section B, 2001, 57, 539-550
2103709 CIF
Paper
C10 H19 N O2P 1 21/c 113.246; 6.988; 13.299
90; 113.78; 90
1126.5Kálmán, Alajos; Argay, Gyula; Fábián, László; Bernáth, Gábor; Fülöp, Ferenc
Basic forms of supramolecular self-assembly organized by parallel and antiparallel hydrogen bonds in the racemic crystal structures of six disubstituted and trisubstituted cyclopentane derivatives
Acta Crystallographica Section B, 2001, 57, 539-550
2103710 CIF
HKL
Paper
C10 H18 O3P -15.931; 6.2; 15.951
84.3; 89.97; 62.28
516Kálmán, Alajos; Argay, Gyula; Fábián, László; Bernáth, Gábor; Fülöp, Ferenc
Basic forms of supramolecular self-assembly organized by parallel and antiparallel hydrogen bonds in the racemic crystal structures of six disubstituted and trisubstituted cyclopentane derivatives
Acta Crystallographica Section B, 2001, 57, 539-550
2103711 CIF
HKL
Paper
C10 H18 O3P 1 21/c 116.862; 6.104; 10.519
90; 107.03; 90
1035.2Kálmán, Alajos; Argay, Gyula; Fábián, László; Bernáth, Gábor; Fülöp, Ferenc
Basic forms of supramolecular self-assembly organized by parallel and antiparallel hydrogen bonds in the racemic crystal structures of six disubstituted and trisubstituted cyclopentane derivatives
Acta Crystallographica Section B, 2001, 57, 539-550
2103712 CIF
HKL
Paper
C10 H18 O3P 1 21/n 16.17; 21.749; 7.892
90; 105.57; 90
1020.2Kálmán, Alajos; Argay, Gyula; Fábián, László; Bernáth, Gábor; Fülöp, Ferenc
Basic forms of supramolecular self-assembly organized by parallel and antiparallel hydrogen bonds in the racemic crystal structures of six disubstituted and trisubstituted cyclopentane derivatives
Acta Crystallographica Section B, 2001, 57, 539-550
2103713 CIF
Paper
C3.2 B1.1 Sc23.387; 3.387; 6.703
90; 90; 120
66.59Onoda, Mitsuko; Shi, Ying; Leithe-Jasper, A.; Tanaka, Takaho
Structure refinement of the layered composite crystal Sc~2~B~1.1~C~3.2~ in a five-dimensional formalism
Acta Crystallographica Section B, 2001, 57, 449-457
2103714 CIF
HKL
Paper
C6 H10 Cu O10P 1 21/n 17.019; 7.472; 9.498
90; 99.94; 90
490.7Lenstra, A. T. H.; Kataeva, O. N.
Structures of copper(II) and manganese(II) di(hydrogen malonate) dihydrate; effects of intensity profile truncation and background modelling on structure models
Acta Crystallographica Section B, 2001, 57, 497-506
2103715 CIF
HKL
Paper
C6 H10 Cu O10P 1 21/n 17.0655; 7.5017; 9.676
90; 100.88; 90
503.64Lenstra, A. T. H.; Kataeva, O. N.
Structures of copper(II) and manganese(II) di(hydrogen malonate) dihydrate; effects of intensity profile truncation and background modelling on structure models
Acta Crystallographica Section B, 2001, 57, 497-506
2103716 CIF
HKL
Paper
C6 H10 Mn O10P 1 21/n 17.0909; 7.3518; 9.577
90; 99.73; 90
492.08Lenstra, A. T. H.; Kataeva, O. N.
Structures of copper(II) and manganese(II) di(hydrogen malonate) dihydrate; effects of intensity profile truncation and background modelling on structure models
Acta Crystallographica Section B, 2001, 57, 497-506
2103717 CIF
Paper
C18 H30 B2 Cl6 F8 Fe N24P 1 21/c 112.1966; 17.9677; 10.5667
90; 90.555; 90
2315.5Dova, Eva; Stassen, Arno F.; Driessen, René A. J.; Sonneveld, Ed; Goubitz, Kees; Peschar, René; Haasnoot, Jaap G.; Reedijk, Jan; Schenk, Henk
Structure determination of the [Fe(teec)~6~](BF~4~)~2~ metal complex from laboratory and synchrotron X-ray powder diffraction data with grid-search techniques
Acta Crystallographica Section B, 2001, 57, 531-538
2103718 CIF
HKL
Paper
C8 H7 N3 O4P -18.279; 10.184; 5.353
99.72; 104.05; 87.73
431.54Bertolasi, Valerio; Gilli, Paola; Ferretti, Valeria; Gilli, Gastone
General rules for the packing of hydrogen-bonded crystals as derived from the analysis of squaric acid anions: aminoaromatic nitrogen base co-crystals
Acta Crystallographica Section B, 2001, 57, 591-598
2103719 CIF
HKL
Paper
C9 H8 N2 O4P -13.812; 11.012; 21.942
100.78; 91.66; 88.26
904.1Bertolasi, Valerio; Gilli, Paola; Ferretti, Valeria; Gilli, Gastone
General rules for the packing of hydrogen-bonded crystals as derived from the analysis of squaric acid anions: aminoaromatic nitrogen base co-crystals
Acta Crystallographica Section B, 2001, 57, 591-598
2103720 CIF
HKL
Paper
C9 H8 N2 O4P 1 21/c 110.283; 7.068; 12.642
90; 97.95; 90
910Bertolasi, Valerio; Gilli, Paola; Ferretti, Valeria; Gilli, Gastone
General rules for the packing of hydrogen-bonded crystals as derived from the analysis of squaric acid anions: aminoaromatic nitrogen base co-crystals
Acta Crystallographica Section B, 2001, 57, 591-598
2103721 CIF
HKL
Paper
C22 H18 N4 O4P -17.209; 7.861; 8.443
108.07; 91.62; 89.83
454.68Bertolasi, Valerio; Gilli, Paola; Ferretti, Valeria; Gilli, Gastone
General rules for the packing of hydrogen-bonded crystals as derived from the analysis of squaric acid anions: aminoaromatic nitrogen base co-crystals
Acta Crystallographica Section B, 2001, 57, 591-598
2103722 CIF
Paper
C28 H48 N2 O2P 21 21 2113.384; 17.452; 11.596
90; 90; 90
2708.6Atencio, Reinaldo; Visbal, Gonzalo; Pekerar, Sara; Papale, Jham; Urbina, Julio A.
Studies of molecular structure parameters of 20-piperidin-2-yl-5α-pregnan-3β,20-diol and its <i>N</i>-methyl derivative: two inhibitors of Δ^24(25)^ sterol methyl transferase and Δ^24(24')^ sterol methyl reductase of <i>Trypanosoma cruzi</i>
Acta Crystallographica Section B, 2001, 57, 714-721
2103723 CIF
Paper
C27 H47 N O2P 1 21 110.478; 7.213; 16.384
90; 99.58; 90
1221Atencio, Reinaldo; Visbal, Gonzalo; Pekerar, Sara; Papale, Jham; Urbina, Julio A.
Studies of molecular structure parameters of 20-piperidin-2-yl-5α-pregnan-3β,20-diol and its <i>N</i>-methyl derivative: two inhibitors of Δ^24(25)^ sterol methyl transferase and Δ^24(24')^ sterol methyl reductase of <i>Trypanosoma cruzi</i>
Acta Crystallographica Section B, 2001, 57, 714-721
2103724 CIF
HKL
Paper
C88 H70 O28P -19.533; 13.54; 14.644
93.88; 95.02; 90.14
1878.57Herbstein, Frank H.; Kapon, Moshe; Shteiman, Vitaly
Determination of the structure of 2(benzene-1,3,5-tricarboxylic acid)·1.5(pyrene)·2(methanol) and comparison with that of 2(benzene-1,3,5-tricarboxylic acid)·pyrene·2(ethanol)
Acta Crystallographica Section B, 2001, 57, 692-696
2103725 CIF
HKL
Paper
C4 H4 N2 O2P 1 21/n 16.607; 6.907; 10.539
90; 104; 90
466.66Katrusiak, Andrzej
Polymorphism of maleic hydrazide. I
Acta Crystallographica Section B, 2001, 57, 697-704
2103726 CIF
HKL
Paper
C4 H4 N2 O2P -15.8181; 5.8; 7.309
78.8; 99.36; 107.13
229.75Katrusiak, Andrzej
Polymorphism of maleic hydrazide. I
Acta Crystallographica Section B, 2001, 57, 697-704
2103727 CIF
HKL
Paper
C13 Cl9P 3 c 118.704; 18.704; 22.675
90; 90; 120
6870Koutentis, P. A.; Haddon, R. C.; Oakley, R. T.; Cordes, A. W.; Brock, C. P.
Perchlorophenalenyl radical, C~13~Cl~9~: a modulated structure with nine threefold-symmetric molecules in the asymmetric unit
Acta Crystallographica Section B, 2001, 57, 680-691
2103728 CIF
Paper
C13 Cl9R 3 m :H18.704; 18.704; 3.7792
90; 90; 120
1145Koutentis, P. A.; Haddon, R. C.; Oakley, R. T.; Cordes, A. W.; Brock, C. P.
Perchlorophenalenyl radical, C~13~Cl~9~: a modulated structure with nine threefold-symmetric molecules in the asymmetric unit
Acta Crystallographica Section B, 2001, 57, 680-691
2103729 CIF
Paper
In0.54 Nb3 Te4P 63/m10.6768; 10.6768; 3.6566
90; 90; 120
360.986Wunschel, Markus; Dinnebier, Robert E.; Carlson, Stefan; van Smaalen, Sander
Bulk modulus and non-uniform compression of Nb~3~Te~4~ and In~<i>x~</i>Nb~3~Te~4~ (<i>x</i> < 1) channel compounds
Acta Crystallographica Section B, 2001, 57, 665-672
2103730 CIF
Paper
C11 H2 Co2 O9P -17.169; 8.452; 11.364
82.77; 80.84; 87.72
674.2Bianchi, Riccardo; Gervasio, Giuliana; Marabello, Domenica
Experimental electron density in the triclinic phase of Co~2~(CO)~6~(μ-CO)(μ-C~4~O~2~H~2~) at 120K
Acta Crystallographica Section B, 2001, 57, 638-645
2103731 CIF
Paper
C6 H11 N OP 320.983; 20.983; 7.621
90; 90; 120
2905.88Olivato, Paulo R.; Ribeiro, Douglas S.; Zukerman-Schpector, J.; Bombieri, Gabriella
Self-association and stereochemistry study of 2-methylthio-, 2-dimethylaminocyclohexanone oximes and the parent cyclohexanone oxime
Acta Crystallographica Section B, 2001, 57, 705-713
2103732 CIF
HKL
Paper
C7 H13 N O SP 1 21/c 15.2634; 23.222; 7.3962
90; 107.66; 90
861.4Olivato, Paulo R.; Ribeiro, Douglas S.; Zukerman-Schpector, J.; Bombieri, Gabriella
Self-association and stereochemistry study of 2-methylthio-, 2-dimethylaminocyclohexanone oximes and the parent cyclohexanone oxime
Acta Crystallographica Section B, 2001, 57, 705-713
2103733 CIF
Paper
C8 H16 N2 OP b c a12.5662; 10.1714; 14.3863
90; 90; 90
1838.8Olivato, Paulo R.; Ribeiro, Douglas S.; Zukerman-Schpector, J.; Bombieri, Gabriella
Self-association and stereochemistry study of 2-methylthio-, 2-dimethylaminocyclohexanone oximes and the parent cyclohexanone oxime
Acta Crystallographica Section B, 2001, 57, 705-713
2103734 CIF
Paper
C10 H15 NaC m c m4.6103; 16.4621; 14.6751
90; 90; 90
1113.77Tedesco, Consiglia; Dinnebier, Robert E.; Olbrich, Falk; van Smaalen, Sander
Disordered crystal structure of pentamethylcyclopentadienylsodium as seen by high-resolution X-ray powder diffraction
Acta Crystallographica Section B, 2001, 57, 673-679
2103735 CIF
Paper
C16 H19 K O5 SP 1 21/a 111.493; 7.685; 18.15
90; 91.49; 90
1602.5De Ridder, Dirk J. A.; Goubitz, Kees; Fontijn, Margot; Čapková, Pavla; Dova, Eva; Schenk, Henk
Influence of aromatic sulfonation on the geometry of [2.2]paracyclophane: crystal structures of one sulfonate, one disulfonic anhydride and five disulfonimides
Acta Crystallographica Section B, 2001, 57, 780-790
2103736 CIF
Paper
C16.5 H15 Cl O5 S2C 1 2/c 115.927; 7.7031; 26.257
90; 98.17; 90
3188.7De Ridder, Dirk J. A.; Goubitz, Kees; Fontijn, Margot; Čapková, Pavla; Dova, Eva; Schenk, Henk
Influence of aromatic sulfonation on the geometry of [2.2]paracyclophane: crystal structures of one sulfonate, one disulfonic anhydride and five disulfonimides
Acta Crystallographica Section B, 2001, 57, 780-790
2103737 CIF
Paper
C20 H21 N3 O4 S2P 1 21/m 18.725; 10.259; 10.95
90; 92.87; 90
978.9De Ridder, Dirk J. A.; Goubitz, Kees; Fontijn, Margot; Čapková, Pavla; Dova, Eva; Schenk, Henk
Influence of aromatic sulfonation on the geometry of [2.2]paracyclophane: crystal structures of one sulfonate, one disulfonic anhydride and five disulfonimides
Acta Crystallographica Section B, 2001, 57, 780-790
2103738 CIF
Paper
C19 H21 N O4 S2P m c n10.587; 10.779; 15.644
90; 90; 90
1785.3De Ridder, Dirk J. A.; Goubitz, Kees; Fontijn, Margot; Čapková, Pavla; Dova, Eva; Schenk, Henk
Influence of aromatic sulfonation on the geometry of [2.2]paracyclophane: crystal structures of one sulfonate, one disulfonic anhydride and five disulfonimides
Acta Crystallographica Section B, 2001, 57, 780-790
2103739 CIF
Paper
C19 H21 N O4 S2P b c a12.845; 15.0121; 18.643
90; 90; 90
3594.9De Ridder, Dirk J. A.; Goubitz, Kees; Fontijn, Margot; Čapková, Pavla; Dova, Eva; Schenk, Henk
Influence of aromatic sulfonation on the geometry of [2.2]paracyclophane: crystal structures of one sulfonate, one disulfonic anhydride and five disulfonimides
Acta Crystallographica Section B, 2001, 57, 780-790
2103740 CIF
Paper
C19 H19 N O4 S2P b c a9.826; 14.632; 23.77
90; 90; 90
3417.5De Ridder, Dirk J. A.; Goubitz, Kees; Fontijn, Margot; Čapková, Pavla; Dova, Eva; Schenk, Henk
Influence of aromatic sulfonation on the geometry of [2.2]paracyclophane: crystal structures of one sulfonate, one disulfonic anhydride and five disulfonimides
Acta Crystallographica Section B, 2001, 57, 780-790
2103741 CIF
Paper
C22 H19 N O4 S2P m c n9.915; 12.426; 15.418
90; 90; 90
1899.6De Ridder, Dirk J. A.; Goubitz, Kees; Fontijn, Margot; Čapková, Pavla; Dova, Eva; Schenk, Henk
Influence of aromatic sulfonation on the geometry of [2.2]paracyclophane: crystal structures of one sulfonate, one disulfonic anhydride and five disulfonimides
Acta Crystallographica Section B, 2001, 57, 780-790
2103742 CIF
Paper
C6 H9 N3 O3P 1 21/n 113.48; 14.172; 8.433
90; 92.07; 90
1610Kaftory, Menahem; Botoshansky, Mark; Kapon, Moshe; Shteiman, Vitaly
Irreversible single-crystal to polycrystal and reversible single-crystal to single-crystal phase transformations in cyanurates
Acta Crystallographica Section B, 2001, 57, 791-799
2103743 CIF
Paper
C6 H9 N3 O3P n m a8.465; 6.749; 14.284
90; 90; 90
816.05Kaftory, Menahem; Botoshansky, Mark; Kapon, Moshe; Shteiman, Vitaly
Irreversible single-crystal to polycrystal and reversible single-crystal to single-crystal phase transformations in cyanurates
Acta Crystallographica Section B, 2001, 57, 791-799
2103744 CIF
Paper
C6 H9 N3 O3P n m a8.481; 6.78; 14.284
90; 90; 90
821.35Kaftory, Menahem; Botoshansky, Mark; Kapon, Moshe; Shteiman, Vitaly
Irreversible single-crystal to polycrystal and reversible single-crystal to single-crystal phase transformations in cyanurates
Acta Crystallographica Section B, 2001, 57, 791-799
2103745 CIF
HKL
Paper
C17 H40 N8 O10C 1 2 119.008; 5.073; 13.6723
90; 101.109; 90
1293.7Saraswathi, N. T.; Vijayan, M.
X-ray studies on crystalline complexes involving amino acids and peptides. XXXVIII. Crystal structures of the complexes of <small>L</small>-arginine and <small>L</small>-histidine with glutaric acid and a comparative study of amino acid‒glutaric acid complexes
Acta Crystallographica Section B, 2001, 57, 842-849

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