Crystallography Open Database

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1000428 CIFBa0.86 Ca2 In6 O12P 63/m9.888; 9.888; 3.217
90; 90; 120
272.4Baldinozzi, G; Goutenoire, F; Hervieu, M; Suard, E; Grebille, D
Incommensurate modulated disorder in Ba0.85 Ca2.15 In6 O12
Acta Crystallographica B (39,1983-), 1996, 52, 780-789
1000429 CIFBa0.83 Ca2.1 In6 O12P 39.888; 9.888; 3.217
90; 90; 120
272.4Baldinozzi, G; Goutenoire, F; Hervieu, M; Suard, E; Grebille, D
Incommensurate modulated disorder in Ba0.85 Ca2.15 In6 O12
Acta Crystallographica B (39,1983-), 1996, 52, 780-789
1006111 CIFH4 O9 P2 TiP 1 21/c 18.611; 4.9933; 16.1507
90; 110.206; 90
651.7Salvadó, M. A.; Pertierra, P.; García-Granda, S.; García, J. R.; Rodríguez, J.; Fernández-Díaz, M. T.
Neutron powder diffraction study of α-Ti(HPO~4~)~2~.(H~2~O) and α-Hf(HPO~4~)~2~.(H~2~O); H-atom positions
Acta Crystallographica, Section B: Structural Science, 1996, 52, 896-898
1006112 CIFH4 Hf O9 P2P 1 21/c 18.9955; 5.2439; 16.224
90; 111.234; 90
713.4Salvadó, M. A.; Pertierra, P.; García-Granda, S.; García, J. R.; Rodríguez, J.; Fernández-Díaz, M. T.
Neutron powder diffraction study of α-Ti(HPO~4~)~2~.(H~2~O) and α-Hf(HPO~4~)~2~.(H~2~O); H-atom positions
Acta Crystallographica, Section B: Structural Science, 1996, 52, 896-898
1008736 CIFFe2 O5 PI 1 2/a 17.2956; 7.5605; 7.2512
90; 117.368; 90
355.2Elkaïm, E.; Berar, J. F.; Gleitzer, C.; Malaman, B.; Ijjaali, M.; Lecomte, C.
Occurrence of a monoclinic distortion in β-Fe~2~PO~5~
Acta Crystallographica, Section B: Structural Science, 1996, 52, 428-431
1100095 CIFH14 Mg6 O16 SC c m m15.895; 3.105; 13.367
90; 90; 90
659.7Hamada, E.; Ishizawa, N.; Marumo, F.; Ohsumi, K.; Shimizugawa, Y.; Reizen, K.; Matsunami, T.
Structure of Mg~6~SO~2~(OH)~14~ determined by micro single-crystal X-ray diffraction
Acta Crystallographica B (39,1983-), 1996, 52, 266-269
2101421 CIF
Paper
C21 H24 Fe OP 1 21/n 18.007; 13.002; 66.24
90; 91.96; 90
6892Glidewell, C.; Klar, R. B.; Lightfoot, P.; Zakaria, C. M.; Ferguson, G.
Hydrogen bonding in α-ferrocenyl alcohols: structures of 1-ferrocenylethanol, 1-ferrocenyl-2-phenylethanol, 1-ferrocenyl-1-phenylpropan-1-ol, 1-ferrocenyl-1-phenyl-2-methylpropan-1-ol, 1-ferrocenyl-1-phenyl-2,2-dimethylpropan-1-ol, 1-ferrocenyl-1,2-diphenylethanol and diferrocenyl(phenyl)methanol
Acta Crystallographica Section B, 1996, 52, 110-121
2101422 CIF
Paper
C12 H14 Fe OI 41 c d23.3334; 23.3334; 7.7186
90; 90; 90
4202.4Glidewell, C.; Klar, R. B.; Lightfoot, P.; Zakaria, C. M.; Ferguson, G.
Hydrogen bonding in α-ferrocenyl alcohols: structures of 1-ferrocenylethanol, 1-ferrocenyl-2-phenylethanol, 1-ferrocenyl-1-phenylpropan-1-ol, 1-ferrocenyl-1-phenyl-2-methylpropan-1-ol, 1-ferrocenyl-1-phenyl-2,2-dimethylpropan-1-ol, 1-ferrocenyl-1,2-diphenylethanol and diferrocenyl(phenyl)methanol
Acta Crystallographica Section B, 1996, 52, 110-121
2101423 CIF
Paper
C18 H18 Fe OP n a a9.8589; 15.28; 19.1399
90; 90; 90
2883.3Glidewell, C.; Klar, R. B.; Lightfoot, P.; Zakaria, C. M.; Ferguson, G.
Hydrogen bonding in α-ferrocenyl alcohols: structures of 1-ferrocenylethanol, 1-ferrocenyl-2-phenylethanol, 1-ferrocenyl-1-phenylpropan-1-ol, 1-ferrocenyl-1-phenyl-2-methylpropan-1-ol, 1-ferrocenyl-1-phenyl-2,2-dimethylpropan-1-ol, 1-ferrocenyl-1,2-diphenylethanol and diferrocenyl(phenyl)methanol
Acta Crystallographica Section B, 1996, 52, 110-121
2101424 CIF
Paper
C19 H20 Fe OP 1 21/c 110.2443; 10.5811; 14.2487
90; 100.19; 90
1520.1Glidewell, C.; Klar, R. B.; Lightfoot, P.; Zakaria, C. M.; Ferguson, G.
Hydrogen bonding in α-ferrocenyl alcohols: structures of 1-ferrocenylethanol, 1-ferrocenyl-2-phenylethanol, 1-ferrocenyl-1-phenylpropan-1-ol, 1-ferrocenyl-1-phenyl-2-methylpropan-1-ol, 1-ferrocenyl-1-phenyl-2,2-dimethylpropan-1-ol, 1-ferrocenyl-1,2-diphenylethanol and diferrocenyl(phenyl)methanol
Acta Crystallographica Section B, 1996, 52, 110-121
2101425 CIF
Paper
C20 H22 Fe OC 1 c 125.387; 7.6825; 17.803
90; 108.217; 90
3298.2Glidewell, C.; Klar, R. B.; Lightfoot, P.; Zakaria, C. M.; Ferguson, G.
Hydrogen bonding in α-ferrocenyl alcohols: structures of 1-ferrocenylethanol, 1-ferrocenyl-2-phenylethanol, 1-ferrocenyl-1-phenylpropan-1-ol, 1-ferrocenyl-1-phenyl-2-methylpropan-1-ol, 1-ferrocenyl-1-phenyl-2,2-dimethylpropan-1-ol, 1-ferrocenyl-1,2-diphenylethanol and diferrocenyl(phenyl)methanol
Acta Crystallographica Section B, 1996, 52, 110-121
2101426 CIF
Paper
C24 H22 Fe OC 1 2/c 126.229; 5.889; 24.553
90; 104.114; 90
3678Glidewell, C.; Klar, R. B.; Lightfoot, P.; Zakaria, C. M.; Ferguson, G.
Hydrogen bonding in α-ferrocenyl alcohols: structures of 1-ferrocenylethanol, 1-ferrocenyl-2-phenylethanol, 1-ferrocenyl-1-phenylpropan-1-ol, 1-ferrocenyl-1-phenyl-2-methylpropan-1-ol, 1-ferrocenyl-1-phenyl-2,2-dimethylpropan-1-ol, 1-ferrocenyl-1,2-diphenylethanol and diferrocenyl(phenyl)methanol
Acta Crystallographica Section B, 1996, 52, 110-121
2101427 CIF
Paper
C27 H24 Fe2 OP -19.3999; 11.1988; 11.972
117.844; 98.89; 102.362
1040.2Glidewell, C.; Klar, R. B.; Lightfoot, P.; Zakaria, C. M.; Ferguson, G.
Hydrogen bonding in α-ferrocenyl alcohols: structures of 1-ferrocenylethanol, 1-ferrocenyl-2-phenylethanol, 1-ferrocenyl-1-phenylpropan-1-ol, 1-ferrocenyl-1-phenyl-2-methylpropan-1-ol, 1-ferrocenyl-1-phenyl-2,2-dimethylpropan-1-ol, 1-ferrocenyl-1,2-diphenylethanol and diferrocenyl(phenyl)methanol
Acta Crystallographica Section B, 1996, 52, 110-121
2101428 CIF
Paper
C7 H16 Cl N O2P 21 21 219.89; 15.324; 6.302
90; 90; 90
955.1Frydenvang, K.; Jensen, B.
Conformational analysis of acetylcholine and related choline esters
Acta Crystallographica Section B, 1996, 52, 184-193
2101429 CIF
Paper
C6 H15 Br N2 O2P n a m10.35; 13.028; 6.816
90; 90; 90
919.1Frydenvang, K.; Jensen, B.
Conformational analysis of acetylcholine and related choline esters
Acta Crystallographica Section B, 1996, 52, 184-193
2101430 CIF
Paper
C6 H15 Cl N2 O2P n a m10.179; 12.781; 6.713
90; 90; 90
873.3Frydenvang, K.; Jensen, B.
Conformational analysis of acetylcholine and related choline esters
Acta Crystallographica Section B, 1996, 52, 184-193
2101431 CIF
Paper
C6 H15 I N2 O2P 1 21/c 15.919; 12.573; 13.643
90; 96.46; 90
1008.9Frydenvang, K.; Jensen, B.
Conformational analysis of acetylcholine and related choline esters
Acta Crystallographica Section B, 1996, 52, 184-193
2101432 CIF
Paper
C7 H16 I N O3P n a m10.267; 15.305; 6.873
90; 90; 90
1080Frydenvang, K.; Jensen, B.
Conformational analysis of acetylcholine and related choline esters
Acta Crystallographica Section B, 1996, 52, 184-193
2101433 CIF
Paper
C14 H30 I2 N2 O4P 1 21 112.803; 8.165; 9.612
90; 98.09; 90
994.8Frydenvang, K.; Jensen, B.
Conformational analysis of acetylcholine and related choline esters
Acta Crystallographica Section B, 1996, 52, 184-193
2101434 CIF
Paper
C16 H21 N3 O7 SP n a 2118.64; 13.088; 7.502
90; 90; 90
1830.2Russell, V. A.; Ward, M. D.
Solid-state structure of a layered hydrogen-bonded salt: guanidinium 5-benzoyl-4-hydroxy-2-methoxybenzenesulfonate methanol solvate
Acta Crystallographica Section B, 1996, 52, 209-214
2101435 CIF
Paper
C34 H44 O14.5I 429.145; 29.145; 7.695
90; 90; 90
6536.4Govindachari, T. R.; Geetha Gopalakrishnan,; Rajan, S. S.; Kabaleeswaran, V.; Lessinger, L.
Molecular and crystal structure of azadirachtin-H
Acta Crystallographica Section B, 1996, 52, 145-150
2101436 CIF
Paper
Bi2 Ca Cu2 O8 Sr2C 1 c 137.754; 5.4109; 41.07
90; 103.58; 90
8155Gladyshevskii, R. E.; Flükiger, R.
Modulated structure of Bi~2~Sr~2~CaCu~2~O~8+{δ~}, a high-<i>T</i>~c~ superconductor with monoclinic symmetry
Acta Crystallographica Section B, 1996, 52, 38-53
2101437 CIF
Paper
Bi2 Ca Cu2 O8 Sr2C c c 25.4112; 30.873; 5.416
90; 90; 90
904.8Gladyshevskii, R. E.; Flükiger, R.
Modulated structure of Bi~2~Sr~2~CaCu~2~O~8+{δ~}, a high-<i>T</i>~c~ superconductor with monoclinic symmetry
Acta Crystallographica Section B, 1996, 52, 38-53
2101438 CIF
Paper
H2 Mg O2P -3 m 13.148; 3.148; 4.779
90; 90; 120
41.01Desgranges, L.; Calvarin, G.; Chevrier, G.
Interlayer interactions in <i>M</i>(OH)~2~: a neutron diffraction study of Mg(OH)~2~
Acta Crystallographica Section B, 1996, 52, 82-86
2101439 CIF
Paper
H2 Mg O2P -3 m 13.145; 3.145; 4.74
90; 90; 120
40.6Desgranges, L.; Calvarin, G.; Chevrier, G.
Interlayer interactions in <i>M</i>(OH)~2~: a neutron diffraction study of Mg(OH)~2~
Acta Crystallographica Section B, 1996, 52, 82-86
2101440 CIF
Paper
C20 H14 Cl2 O4P 1 21/n 17.672; 8.217; 29.042
90; 92.41; 90
1829.2Jones, R.; Rettig, S. J.; Scheffer, J. R.; Trotter, J.; Yang, J.
Structures and photochemistry of 1,5-disubstituted dibenzobarrelenes
Acta Crystallographica Section B, 1996, 52, 151-158
2101441 CIF
Paper
C22 H14 N2 O4P 1 21/n 17.864; 27.588; 8.76
90; 101.88; 90
1859.8Jones, R.; Rettig, S. J.; Scheffer, J. R.; Trotter, J.; Yang, J.
Structures and photochemistry of 1,5-disubstituted dibenzobarrelenes
Acta Crystallographica Section B, 1996, 52, 151-158
2101442 CIF
Paper
C26 H19 N2 O4P 1 21/c 115.328; 14.483; 20.421
90; 105.65; 90
4365.3Jones, R.; Rettig, S. J.; Scheffer, J. R.; Trotter, J.; Yang, J.
Structures and photochemistry of 1,5-disubstituted dibenzobarrelenes
Acta Crystallographica Section B, 1996, 52, 151-158
2101443 CIF
Paper
C24.8 H17.5 N2 O4P 1 21/n 115.174; 14.408; 20.531
90; 109.21; 90
4238.7Jones, R.; Rettig, S. J.; Scheffer, J. R.; Trotter, J.; Yang, J.
Structures and photochemistry of 1,5-disubstituted dibenzobarrelenes
Acta Crystallographica Section B, 1996, 52, 151-158
2101444 CIF
Paper
C22 H20 O6P -114.9; 15.128; 8.809
105.03; 90.22; 82.79
1901.7Jones, R.; Rettig, S. J.; Scheffer, J. R.; Trotter, J.; Yang, J.
Structures and photochemistry of 1,5-disubstituted dibenzobarrelenes
Acta Crystallographica Section B, 1996, 52, 151-158
2101445 CIF
Paper
C20 H14 Cl2 O4P n a 2114.867; 8.109; 14.944
90; 90; 90
1801.6Jones, R.; Rettig, S. J.; Scheffer, J. R.; Trotter, J.; Yang, J.
Structures and photochemistry of 1,5-disubstituted dibenzobarrelenes
Acta Crystallographica Section B, 1996, 52, 151-158
2101446 CIF
Paper
C1.92 H1.32 Al0.04 Cl0.64 O24 Si11.96P n m a20.009; 19.909; 13.366
90; 90; 90
5324.5van Koningsveld, H.; Jansen, J. C.; Man, A. J. M. de
Single-crystal structure analysis and energy minimizations of a MFI-type zeolite at low <i>p</i>-dichlorobenzene sorbate loading
Acta Crystallographica Section B, 1996, 52, 131-139
2101447 CIF
Paper
C12 H8 Al0.08 Cl4 O48 Si23.92P 21 21 2120.102; 19.797; 13.436
90; 90; 90
5347van Koningsveld, H.; Jansen, J. C.; van Bekkum, H.
The location of <i>p</i>-dichlorobenzene in a single crystal of zeolite H-ZSM-5 at high sorbate loading
Acta Crystallographica Section B, 1996, 52, 140-144
2101448 CIF
Paper
C16 H16 Cl N O3P 1 21/a 113.922; 6.951; 30.173
90; 93.04; 90
2915.8Böcskei, Zs.; Simon, K.; Németh, V.; Ágai, B.; Toke, L.
Interesting conformational and substitutional disorder in the crystal structures of three homologous crowns
Acta Crystallographica Section B, 1996, 52, 194-200
2101449 CIF
Paper
C18 H20 Cl N O4P 1 21 111.146; 12.343; 13.737
90; 107.92; 90
1798.2Böcskei, Zs.; Simon, K.; Németh, V.; Ágai, B.; Toke, L.
Interesting conformational and substitutional disorder in the crystal structures of three homologous crowns
Acta Crystallographica Section B, 1996, 52, 194-200
2101450 CIF
Paper
C20 H26 Cl N O6P 1 c 112.477; 12.646; 13.4267
90; 102.747; 90
2066.3Böcskei, Zs.; Simon, K.; Németh, V.; Ágai, B.; Toke, L.
Interesting conformational and substitutional disorder in the crystal structures of three homologous crowns
Acta Crystallographica Section B, 1996, 52, 194-200
2101451 CIF
Paper
Al3 F19 Pb5I 4 c m14.07; 14.07; 7.3
90; 90; 90
1445Sarraute, S.; Ravez, J.; Von der Mühll, R.; Bravic, G.; Feigelson, R. S.; Abrahams, S. C.
Structure of ferroelectric Pb~5~Al~3~F~19~ at 160 K, polarization reversal and relationship to ferroelectric Pb~5~Cr~3~F~19~ at 295 K
Acta Crystallographica Section B, 1996, 52, 72-77
2101452 CIF
Paper
C42 H92.5 Ca2 Cl4 O46.25P 21 21 2115.875; 17.583; 24.27
90; 90; 90
6774.5Nicolis, I.; Coleman, A. W.; Charpin, P.; Rango, C. de
First sphere coordination of divalent metal cations by cyclodextrin: structure of the β-cyclodextrin‒calcium chloride‒water (1/2/11.25) compound
Acta Crystallographica Section B, 1996, 52, 122-130
2101453 CIF
Paper
C6 H5 N O3P 21 21 2111.136; 6.649; 8.091
90; 90; 90
599.08Hamzaoui, F.; Baert, F.; Wojcik, G.
Electron-density study of <i>m</i>-nitrophenol in the orthorhombic structure
Acta Crystallographica Section B, 1996, 52, 159-164
2101454 CIF
Paper
Cu Nd2 O4I 4/m m m3.9488; 3.9488; 12.1869
90; 90; 90
190.03Makarova, I. P.; Simonov, V. I.; Blomberg, M. K.; Merisalo, M. J.
X-ray diffraction study of Nd~2~CuO~4~ single crystals at 20 K
Acta Crystallographica Section B, 1996, 52, 93-99
2101455 CIF
Paper
Cu Nd2 O4I 4/m m m3.9379; 3.9379; 12.14
90; 90; 90
188.256Makarova, I. P.; Simonov, V. I.; Blomberg, M. K.; Merisalo, M. J.
X-ray diffraction study of Nd~2~CuO~4~ single crystals at 20 K
Acta Crystallographica Section B, 1996, 52, 93-99
2101456 CIF
Paper
Pu0.6 U0.4R -3 m10.68535; 10.68535; 10.68535
89.7364; 89.7364; 89.7364
1219.98Lawson, A. C.; Goldstone, J. A.; Cort, B.; Martinez, R. J.; Vigil, F. A.; Zocco, T. G.; Richardson, Jnr, J. W.; Mueller, M. H.
Structure of ζ-phase plutonium‒uranium
Acta Crystallographica Section B, 1996, 52, 32-37
2101457 CIF
Paper
Pu0.6 U0.4R -3 m15.0765; 15.0765; 18.5925
90; 90; 120
3659.9Lawson, A. C.; Goldstone, J. A.; Cort, B.; Martinez, R. J.; Vigil, F. A.; Zocco, T. G.; Richardson, Jnr, J. W.; Mueller, M. H.
Structure of ζ-phase plutonium‒uranium
Acta Crystallographica Section B, 1996, 52, 32-37
2101458 CIF
Paper
C18 H20 N2 O4 S4P -17.664; 9.874; 14.851
101.71; 90.45; 102.27
1073.8Nüesch, F.; Grätzel, M.; Nesper, R.; Shklover, V.
Crystal and molecular structures of 3-acetyl-5-[2-(3-ethyl-2-benzothiazolidene)]ethylidenerhodanine and its lithium and sodium salts. Layered organic–inorganic structures
Acta Crystallographica Section B, 1996, 52, 277-286
2101459 CIF
Paper
C20.5 H27.5 Li N3.5 O6.5 S3P -17.249; 10.773; 16.433
87.66; 85.22; 77.04
1245.9Nüesch, F.; Grätzel, M.; Nesper, R.; Shklover, V.
Crystal and molecular structures of 3-acetyl-5-[2-(3-ethyl-2-benzothiazolidene)]ethylidenerhodanine and its lithium and sodium salts. Layered organic–inorganic structures
Acta Crystallographica Section B, 1996, 52, 277-286
2101460 CIF
Paper
C16 H29 N2 Na O11 S3C 1 2/c 146.209; 7.005; 16.583
90; 109.45; 90
5061Nüesch, F.; Grätzel, M.; Nesper, R.; Shklover, V.
Crystal and molecular structures of 3-acetyl-5-[2-(3-ethyl-2-benzothiazolidene)]ethylidenerhodanine and its lithium and sodium salts. Layered organic‒inorganic structures
Acta Crystallographica Section B, 1996, 52, 277-286
2101461 CIF
Paper
C29 H33 Co N5 O4 PP 1 21/c 115.15; 14.846; 12.785
90; 93.26; 90
2870.9Sawada, K.; Hashizume, D.; Sekine, A.; Uekusa, H.; Kato, K.; Ohashi, Y.; Kakinuma, K.; Ohgo, Y.
Four polymorphs of a cobaloxime complex with different solid-state photoisomerization rates
Acta Crystallographica Section B, 1996, 52, 303-313
2101462 CIF
Paper
C29 H33 Co N5 O4 PP b c a59.684; 14.909; 12.956
90; 90; 90
11529Sawada, K.; Hashizume, D.; Sekine, A.; Uekusa, H.; Kato, K.; Ohashi, Y.; Kakinuma, K.; Ohgo, Y.
Four polymorphs of a cobaloxime complex with different solid-state photoisomerization rates
Acta Crystallographica Section B, 1996, 52, 303-313
2101463 CIF
Paper
C29 H33 Co N5 O4 PP 1 21/c 115.103; 13.483; 14.908
90; 107.12; 90
2901Sawada, K.; Hashizume, D.; Sekine, A.; Uekusa, H.; Kato, K.; Ohashi, Y.; Kakinuma, K.; Ohgo, Y.
Four polymorphs of a cobaloxime complex with different solid-state photoisomerization rates
Acta Crystallographica Section B, 1996, 52, 303-313
2101464 CIF
Paper
C29 H33 Co N5 O4 PP 21 21 2114.926; 18.433; 10.642
90; 90; 90
2927.9Sawada, K.; Hashizume, D.; Sekine, A.; Uekusa, H.; Kato, K.; Ohashi, Y.; Kakinuma, K.; Ohgo, Y.
Four polymorphs of a cobaloxime complex with different solid-state photoisomerization rates
Acta Crystallographica Section B, 1996, 52, 303-313
2101465 CIF
Paper
C4 H9 N O4P -17.483; 8.881; 4.731
91.29; 93.23; 100.24
308.7Hirano, A.; Kubozono, Y.; Maeda, H.; Ishida, H.; Kashino, S.
Structure of ammonium hydrogen succinate above and below the phase transition around 170K
Acta Crystallographica Section B, 1996, 52, 323-327
2101466 CIF
Paper
C4 H9 N O4P -17.437; 8.834; 4.6927
91.32; 93.37; 100.68
302.26Hirano, A.; Kubozono, Y.; Maeda, H.; Ishida, H.; Kashino, S.
Structure of ammonium hydrogen succinate above and below the phase transition around 170K
Acta Crystallographica Section B, 1996, 52, 323-327
2101467 CIF
Paper
C4 H9 N O4P -17.4384; 8.8222; 4.6875
91.48; 93.178; 100.85
301.44Hirano, A.; Kubozono, Y.; Maeda, H.; Ishida, H.; Kashino, S.
Structure of ammonium hydrogen succinate above and below the phase transition around 170K
Acta Crystallographica Section B, 1996, 52, 323-327
2101468 CIF
Paper
C10 H10 VP 1 21/n 15.7208; 8.211; 8.831
90; 90.94; 90
414.77Antipin, M. Yu.; Boese, R.
Structure of vanadocene in the temperature interval 108–357 K and the nature of the ring disorder
Acta Crystallographica Section B, 1996, 52, 314-322
2101469 CIF
Paper
C10 H10 VP 1 21/n 15.772; 8.111; 8.981
90; 89.95; 90
420.4Antipin, M. Yu.; Boese, R.
Structure of vanadocene in the temperature interval 108–357 K and the nature of the ring disorder
Acta Crystallographica Section B, 1996, 52, 314-322
2101470 CIF
Paper
C10 H10 VP 1 21/n 15.772; 8.111; 8.981
90; 89.95; 90
420.4Antipin, M. Yu.; Boese, R.
Structure of vanadocene in the temperature interval 108–357 K and the nature of the ring disorder
Acta Crystallographica Section B, 1996, 52, 314-322
2101471 CIF
Paper
C10 H10 VP 1 21/n 15.885; 8.013; 9.251
90; 88.8; 90
436.1Antipin, M. Yu.; Boese, R.
Structure of vanadocene in the temperature interval 108–357 K and the nature of the ring disorder
Acta Crystallographica Section B, 1996, 52, 314-322
2101472 CIF
Paper
C10 H10 VP 1 21/n 15.885; 8.013; 9.251
90; 88.8; 90
436.1Antipin, M. Yu.; Boese, R.
Structure of vanadocene in the temperature interval 108–357 K and the nature of the ring disorder
Acta Crystallographica Section B, 1996, 52, 314-322
2101473 CIF
Paper
C10 H10 VP 1 21/n 15.934; 8.013; 9.344
90; 91.52; 90
444.1Antipin, M. Yu.; Boese, R.
Structure of vanadocene in the temperature interval 108–357 K and the nature of the ring disorder
Acta Crystallographica Section B, 1996, 52, 314-322
2101474 CIF
Paper
C8 H17 N O2P -15.753; 7.498; 10.649
105.71; 93.64; 97.63
435.9Luo, J.; Ruble, J. R.; Craven, B. M.; McMullan, R. K.
Effects of H/D substitution on thermal vibrations in piperazinium hexanoate-h~11~,d~11~
Acta Crystallographica Section B, 1996, 52, 357-368
2101475 CIF
Paper
C8 H6 D11 N O2P -15.75; 7.486; 10.622
105.81; 93.66; 97.66
433.6Luo, J.; Ruble, J. R.; Craven, B. M.; McMullan, R. K.
Effects of H/D substitution on thermal vibrations in piperazinium hexanoate-h~11~,d~11~
Acta Crystallographica Section B, 1996, 52, 357-368
2101476 CIF
Paper
B4 O7 PbP 21 n m4.251; 4.463; 10.86
90; 90; 90
206.04Corker, D. L.; Glazer, A. M.
Structure and optical non-linearity of PbO.2B~2~O~3~
Acta Crystallographica Section B, 1996, 52, 260-265
2101477 CIF
Paper
Al Fe O3P n a 214.9839; 8.5544; 9.2413
90; 90; 90
393.996Bouree, F.; Baudour, J. L.; Elbadraoui, E.; Musso, J.; Laurent, C.; Rousset, A.
Crystal and magnetic structure of piezoelectric, ferrimagnetic and magnetoelectric aluminium iron oxide FeAlO~3~ from neutron powder diffraction
Acta Crystallographica Section B, 1996, 52, 217-222
2101478 CIF
Paper
Al Fe O3P n a 214.9792; 8.5466; 9.2345
90; 90; 90
392.976Bouree, F.; Baudour, J. L.; Elbadraoui, E.; Musso, J.; Laurent, C.; Rousset, A.
Crystal and magnetic structure of piezoelectric, ferrimagnetic and magnetoelectric aluminium iron oxide FeAlO~3~ from neutron powder diffraction
Acta Crystallographica Section B, 1996, 52, 217-222
2101479 CIF
Paper
C7 H3 Cl N2 O2P b c a9.469; 14.752; 10.859
90; 90; 90
1516.9Britton, D.; Cramer, C. J.
Structures of four <i>o</i>-nitrobenzonitriles
Acta Crystallographica Section B, 1996, 52, 344-351
2101480 CIF
Paper
C8 H6 N2 O2P b c a9.969; 14.728; 10.179
90; 90; 90
1494.5Britton, D.; Cramer, C. J.
Structures of four <i>o</i>-nitrobenzonitriles
Acta Crystallographica Section B, 1996, 52, 344-351
2101481 CIF
Paper
C7 H3 Cl N2 O2P 1 21/n 17.889; 15.064; 7.311
90; 118.22; 90
765.6Britton, D.; Cramer, C. J.
Structures of four <i>o</i>-nitrobenzonitriles
Acta Crystallographica Section B, 1996, 52, 344-351
2101482 CIF
Paper
C7 H3 N3 O4P b c n13.081; 9.027; 6.545
90; 90; 90
772.8Britton, D.; Cramer, C. J.
Structures of four <i>o</i>-nitrobenzonitriles
Acta Crystallographica Section B, 1996, 52, 344-351
2101483 CIF
Paper
C18 H8 N4 Se4P 1 21/c 112.5048; 3.8724; 18.5041
90; 104.131; 90
868.92Corfield, P. W. R.; La Placa, S. J.
Structure of the charge-transfer salt 2,2',5,5'-tetraselenafulvalene‒7,7,8,8-tetracyano-<i>p</i>-quinodimethane (TSeF‒TCNQ)
Acta Crystallographica Section B, 1996, 52, 384-387
2101484 CIF
Paper
Ca3 Fe2 O12 Si3I a -3 d12.0643; 12.0643; 12.0643
90; 90; 90
1756Pilati, T.; Demartin, F.; Gramaccioli, C. M.
Atomic displacement parameters for garnets: a lattice-dynamical evaluation
Acta Crystallographica Section B, 1996, 52, 239-250
2101485 CIF
Paper
C52 H49 F6 P5 Pt2 SP 1 2/n 113.742; 11.058; 16.7504
90; 96.644; 90
2528.3Clegg, William; Capdevila, Mercè; González-Duarte, Pilar; Sola, Joan
Structural investigation of homonuclear Pt~2~ and heteronuclear PdPt complexes containing a metal‒metal bond bridged by hydrido and sulfido ligands
Acta Crystallographica Section B, 1996, 52, 270-276
2101486 CIF
Paper
C52 H49 F6 P5 Pd Pt SP 1 2/n 113.724; 11.097; 16.74
90; 96.77; 90
2531.6Clegg, William; Capdevila, Mercè; González-Duarte, Pilar; Sola, Joan
Structural investigation of homonuclear Pt~2~ and heteronuclear PdPt complexes containing a metal‒metal bond bridged by hydrido and sulfido ligands
Acta Crystallographica Section B, 1996, 52, 270-276
2101487 CIF
Paper
C52 H49 F6 P5 Pt2 SP 1 21/n 113.689; 21.857; 16.662
90; 95.92; 90
4959Clegg, William; Capdevila, Mercè; González-Duarte, Pilar; Sola, Joan
Structural investigation of homonuclear Pt~2~ and heteronuclear PdPt complexes containing a metal‒metal bond bridged by hydrido and sulfido ligands
Acta Crystallographica Section B, 1996, 52, 270-276
2101488 CIF
Paper
C6 H8 N6 O8P 1 21/c 111.559; 8.018; 11.697
90; 98.01; 90
1073.5Ammon, H. L.; Du, Z.; Gilardi, R. D.; Dave, P. R.; Forohar, F.; Axenrod, T.
Structure of 1,3,5,7-tetranitro-3,7-diazabicyclo-[3.3.0]octane. Structure solution from molecular packing analysis
Acta Crystallographica Section B, 1996, 52, 352-356
2101489 CIF
Paper
C6 H24 Cl9 N3 Sb2P 1 c 19.47; 9.034; 14.08
90; 95.81; 90
1198.4Zaleski, J.; Pietraszko, A.
Structure at 200 and 298 K and X-ray investigations of the phase transition at 242 K of [NH~2~(CH~3~)~2~]~3~Sb~2~Cl~9~ (DMACA)
Acta Crystallographica Section B, 1996, 52, 287-295
2101490 CIF
Paper
C6 H24 Cl9 N3 Sb2P 1 21/c 19.686; 9.037; 14.066
90; 95.57; 90
1225.4Zaleski, J.; Pietraszko, A.
Structure at 200 and 298 K and X-ray investigations of the phase transition at 242 K of [NH~2~(CH~3~)~2~]~3~Sb~2~Cl~9~ (DMACA)
Acta Crystallographica Section B, 1996, 52, 287-295
2101491 CIF
Paper
C16 H22 N4 O6P -18.534; 9.352; 12.371
92.59; 96.16; 116.05
877.2Suresh, C. G.; Gangamani, B. P.; Ganesh, K. N.
The rare <i>trans</i>-<i>syn</i> thymine photodimers: structures of polyoxyethylene-linked bisthymines and the derived <i>trans</i>-<i>syn</i> thymine photodimers. Comparison of the stereochemistry before and after photodimerization
Acta Crystallographica Section B, 1996, 52, 376-383
2101492 CIF
Paper
C16 H22 N4 O6P -17.9; 10.061; 12.048
71.37; 78.13; 72.17
857.6Suresh, C. G.; Gangamani, B. P.; Ganesh, K. N.
The rare <i>trans</i>-<i>syn</i> thymine photodimers: structures of polyoxyethylene-linked bisthymines and the derived <i>trans</i>-<i>syn</i> thymine photodimers. Comparison of the stereochemistry before and after photodimerization
Acta Crystallographica Section B, 1996, 52, 376-383
2101493 CIF
Paper
C20 H22 N4 O6P -18.558; 11.077; 11.437
108.57; 94.37; 99.77
1002.9Suresh, C. G.; Gangamani, B. P.; Ganesh, K. N.
The rare <i>trans</i>-<i>syn</i> thymine photodimers: structures of polyoxyethylene-linked bisthymines and the derived <i>trans</i>-<i>syn</i> thymine photodimers. Comparison of the stereochemistry before and after photodimerization
Acta Crystallographica Section B, 1996, 52, 376-383
2101494 CIF
Paper
C20 H22 N4 O6P 1 21/n 110.357; 14.578; 12.676
90; 97.99; 90
1895.3Suresh, C. G.; Gangamani, B. P.; Ganesh, K. N.
The rare <i>trans</i>-<i>syn</i> thymine photodimers: structures of polyoxyethylene-linked bisthymines and the derived <i>trans</i>-<i>syn</i> thymine photodimers. Comparison of the stereochemistry before and after photodimerization
Acta Crystallographica Section B, 1996, 52, 376-383
2101495 CIF
Paper
C21 H23 N3 O2P b c a34.845; 10.013; 10.918
90; 90; 90
3809André, C.; Luger, P.; Lotz, S.; Fehlhammer, W.-P.
The crystal packing modes of three sterically overcrowded imidazole derivatives
Acta Crystallographica Section B, 1996, 52, 369-375
2101496 CIF
Paper
C19 H21 N3 O2P 21 21 218.321; 12.411; 17.008
90; 90; 90
1756.4André, C.; Luger, P.; Lotz, S.; Fehlhammer, W.-P.
The crystal packing modes of three sterically overcrowded imidazole derivatives
Acta Crystallographica Section B, 1996, 52, 369-375
2101497 CIF
Paper
C19 H21 N3P 1 21/a 116.607; 11.427; 9.668
90; 114.38; 90
1671.1André, C.; Luger, P.; Lotz, S.; Fehlhammer, W.-P.
The crystal packing modes of three sterically overcrowded imidazole derivatives
Acta Crystallographica Section B, 1996, 52, 369-375
2101498 CIF
Paper
C18 H36 Cl2 N2 Pd2 S4P 1 21/a 116.393; 9.235; 11.176
90; 128.01; 90
1333Nyburg, S. C.
Structure of a twin initially solved from a partial data set: di-μ-chlorobis-[di-<i>n</i>-butyldithiocarbamato]dipalladium
Acta Crystallographica Section B, 1996, 52, 328-331
2101499 CIF
Paper
CF d -3 m3.56658; 3.56658; 3.56658
90; 90; 90
45.3687Yamanaka, T.; Morimoto, S.
Isotope effect on anharmonic thermal atomic vibration and κ refinement of ^12^C and ^3^C diamond
Acta Crystallographica Section B, 1996, 52, 232-238
2101500 CIF
Paper
C4 H16 N Na O10P 21 21 212.206; 14.451; 6.25
90; 90; 90
1102.4Suzuki, E.; Muta, T.; Nozaki, R.; Shiozaki, Y.
Modification of crystal structure of ammonium Rochelle salt [NaNH~4~(+)-C~4~H~4~O~6~.4H~2~O] owing to the replacement of NH~4~ ions with K ions
Acta Crystallographica Section B, 1996, 52, 296-302
2101501 CIF
Paper
C4 H15.76 K0.06 N0.94 Na O10P 21 21 212.172; 14.421; 6.239
90; 90; 90
1095.2Suzuki, E.; Muta, T.; Nozaki, R.; Shiozaki, Y.
Modification of crystal structure of ammonium Rochelle salt [NaNH~4~(+)-C~4~H~4~O~6~.4H~2~O] owing to the replacement of NH~4~ ions with K ions
Acta Crystallographica Section B, 1996, 52, 296-302
2101502 CIF
Paper
C4 H15.6 K0.1 N0.9 Na O10P 21 21 212.165; 14.42; 6.239
90; 90; 90
1094Suzuki, E.; Muta, T.; Nozaki, R.; Shiozaki, Y.
Modification of crystal structure of ammonium Rochelle salt [NaNH~4~(+)-C~4~H~4~O~6~.4H~2~O] owing to the replacement of NH~4~ ions with K ions
Acta Crystallographica Section B, 1996, 52, 296-302
2101504 CIF
Paper
C10 H8 Cl N O2P 1 21/c 17.313; 17.156; 7.64
90; 92.71; 90
957.5Nigović, B.; Kojić-Prodić, B.; Antolić, S.; Tomić, S.; Puntarec, V.; Cohen, J. D.
Structural studies on monohalogenated derivatives of the phytohormone indole-3-acetic acid (auxin)
Acta Crystallographica Section B, 1996, 52, 332-343
2101505 CIF
Paper
C10 H8 Cl N O2P 1 21/c 119.141; 5.154; 10.323
90; 116.23; 90
913.5Nigović, B.; Kojić-Prodić, B.; Antolić, S.; Tomić, S.; Puntarec, V.; Cohen, J. D.
Structural studies on monohalogenated derivatives of the phytohormone indole-3-acetic acid (auxin)
Acta Crystallographica Section B, 1996, 52, 332-343
2101506 CIF
Paper
C10 H8 Cl N O2P b c a61.08; 12.115; 7.674
90; 90; 90
5679Nigović, B.; Kojić-Prodić, B.; Antolić, S.; Tomić, S.; Puntarec, V.; Cohen, J. D.
Structural studies on monohalogenated derivatives of the phytohormone indole-3-acetic acid (auxin)
Acta Crystallographica Section B, 1996, 52, 332-343
2101507 CIF
Paper
C10 H8 Cl N O2P 1 21/c 120.244; 4.829; 10.728
90; 116.3; 90
940.2Nigović, B.; Kojić-Prodić, B.; Antolić, S.; Tomić, S.; Puntarec, V.; Cohen, J. D.
Structural studies on monohalogenated derivatives of the phytohormone indole-3-acetic acid (auxin)
Acta Crystallographica Section B, 1996, 52, 332-343
2101508 CIF
Paper
C10 H8 Br N O2P -15.645; 9.713; 10.019
116.02; 92.67; 100.12
481.2Nigović, B.; Kojić-Prodić, B.; Antolić, S.; Tomić, S.; Puntarec, V.; Cohen, J. D.
Structural studies on monohalogenated derivatives of the phytohormone indole-3-acetic acid (auxin)
Acta Crystallographica Section B, 1996, 52, 332-343
2101509 CIF
Paper
C4 H8 N O10 TiP 64 2 28.939; 8.939; 10.893
90; 90; 120
753.8Sheu, H. S.; Wu, J. C.; Wang, Y.; English, R. B.
Charge density studies in NH~4~[Ti(C~2~O~4~)~2~].2H~2~O crystals at two wavelengths
Acta Crystallographica Section B, 1996, 52, 458-464
2101510 CIF
Paper
C4 H8 N O10 TiP 64 2 28.931; 8.931; 10.893
90; 90; 120
752.5Sheu, H. S.; Wu, J. C.; Wang, Y.; English, R. B.
Charge density studies in NH~4~[Ti(C~2~O~4~)~2~].2H~2~O crystals at two wavelengths
Acta Crystallographica Section B, 1996, 52, 458-464
2101511 CIF
Paper
C4 H8 N O10 TiP 64 2 28.947; 8.947; 10.898
90; 90; 120
755.5Sheu, H. S.; Wu, J. C.; Wang, Y.; English, R. B.
Charge density studies in NH~4~[Ti(C~2~O~4~)~2~].2H~2~O crystals at two wavelengths
Acta Crystallographica Section B, 1996, 52, 458-464
2101512 CIF
Paper
Ho2 O3I a -310.605; 10.605; 10.605
90; 90; 90
1192.7Maslen, E. N.; Streltsov, V. A.; Ishizawa, N.
A synchrotron X-ray study of the electron density in <i>C</i>-type rare earth oxides
Acta Crystallographica Section B, 1996, 52, 414-422
2101513 CIF
Paper
C29 H29 TaP 3 1 c12.681; 12.681; 16.124
90; 90; 120
2245.5Schaefer, W. P.; Marsh, R. E.; Rodriguez, G.; Bazan, G. C.
A tribenzylidenemethane‒tantalum compound: some experiences with `inversion twinning'
Acta Crystallographica Section B, 1996, 52, 465-470
2101514 CIF
Paper
Bi2 Nb2 O9 PbA 21 a m5.503; 5.495; 25.531
90; 90; 90
772Srikanth, V.; Idink, H.; White, W. B.; Subbarao, E. C.; Rajagopal, H.; Sequeira, A.
Cation disorder in ferroelectric PbBi~2~Nb~2~O~9~
Acta Crystallographica Section B, 1996, 52, 432-439
2101515 CIF
Paper
Bi2 Nb2 O9 PbA 21 a m5.504; 5.487; 25.511
90; 90; 90
770.4Srikanth, V.; Idink, H.; White, W. B.; Subbarao, E. C.; Rajagopal, H.; Sequeira, A.
Cation disorder in ferroelectric PbBi~2~Nb~2~O~9~
Acta Crystallographica Section B, 1996, 52, 432-439
2101516 CIF
Paper
Co Na O4 PP n m a8.871; 6.78; 5.023
90; 90; 90
302.11Hammond, R.; Barbier, J.
Structural chemistry of NaCoPO~4~
Acta Crystallographica Section B, 1996, 52, 440-449
2101517 CIF
Paper
Co Na O4 PP 6510.166; 10.166; 23.881
90; 90; 120
2137.4Hammond, R.; Barbier, J.
Structural chemistry of NaCoPO~4~
Acta Crystallographica Section B, 1996, 52, 440-449
2101518 CIF
Paper
C8 H4 N4 O6P 1 21/c 18.4668; 8.5533; 12.4657
90; 90.341; 90
902.74Kubicki, M.; Kindopp, T. W.; Capparelli, M. V.; Codding, P. W.
Hydrogen-bond patterns in 1,4-dihydro-2,3-quinoxalinediones: ligands for the glycine modulatory site on the NMDA receptor
Acta Crystallographica Section B, 1996, 52, 487-499
2101519 CIF
Paper
C8 H4 N4 O6P 21 21 216.9774; 13.083; 20.401
90; 90; 90
1862.3Kubicki, M.; Kindopp, T. W.; Capparelli, M. V.; Codding, P. W.
Hydrogen-bond patterns in 1,4-dihydro-2,3-quinoxalinediones: ligands for the glycine modulatory site on the NMDA receptor
Acta Crystallographica Section B, 1996, 52, 487-499
2101520 CIF
Paper
C8 H7 N3 O5P 1 21/n 17.4744; 11.9265; 10.491
90; 97.513; 90
927.18Kubicki, M.; Kindopp, T. W.; Capparelli, M. V.; Codding, P. W.
Hydrogen-bond patterns in 1,4-dihydro-2,3-quinoxalinediones: ligands for the glycine modulatory site on the NMDA receptor
Acta Crystallographica Section B, 1996, 52, 487-499
2101521 CIF
Paper
C8 H4 Cl2 N2 O2P 1 21/n 17.2066; 8.4502; 14.4709
90; 99.707; 90
868.62Kubicki, M.; Kindopp, T. W.; Capparelli, M. V.; Codding, P. W.
Hydrogen-bond patterns in 1,4-dihydro-2,3-quinoxalinediones: ligands for the glycine modulatory site on the NMDA receptor
Acta Crystallographica Section B, 1996, 52, 487-499
2101522 CIF
Paper
C11 H11 Cl2 N3 O3P -16.1501; 8.3787; 13.7356
107.407; 99.304; 95.032
659.5Kubicki, M.; Kindopp, T. W.; Capparelli, M. V.; Codding, P. W.
Hydrogen-bond patterns in 1,4-dihydro-2,3-quinoxalinediones: ligands for the glycine modulatory site on the NMDA receptor
Acta Crystallographica Section B, 1996, 52, 487-499
2101523 CIF
Paper
C8 H24 Co Li N8 O12P -3 m 18.856; 8.856; 7.017
90; 90; 120
476.6Bianchi, R.; Gatti, C.; Adovasio, V.; Nardelli, M.
Theoretical and experimental (113 K) electron-density study of lithium bis(tetramethylammonium) hexanitrocobaltate(III)
Acta Crystallographica Section B, 1996, 52, 471-478
2101524 CIF
Paper
C8 H24 Co Li N8 O12P -3 m 18.856; 8.856; 7.017
90; 90; 120
476.6Bianchi, R.; Gatti, C.; Adovasio, V.; Nardelli, M.
Theoretical and experimental (113 K) electron-density study of lithium bis(tetramethylammonium) hexanitrocobaltate(III)
Acta Crystallographica Section B, 1996, 52, 471-478
2101526 CIF
Paper
C4 H8 O3 SP 21 21 217.204; 13.67; 6.041
90; 90; 90
594.9Hellier, D.G.; Luger, P.; Buschmann, J.
Chemistry of the S=O bond. 13. Structures of isomers 1 (I) and 2 (II) of 4-methyl-1,3,2-dioxathiane 2-oxide and 1,3,2-dioxathiepane 2-oxide (III) at 256, 240 and 228 K
Acta Crystallographica Section B, 1996, 52, 505-508
2101527 CIF
Paper
C4 H8 O3 SP 21 21 2118.238; 10.265; 6.616
90; 90; 90
1238.6Hellier, D.G.; Luger, P.; Buschmann, J.
Chemistry of the S=O bond. 13. Structures of isomers 1 (I) and 2 (II) of 4-methyl-1,3,2-dioxathiane 2-oxide and 1,3,2-dioxathiepane 2-oxide (III) at 256, 240 and 228 K
Acta Crystallographica Section B, 1996, 52, 505-508
2101528 CIF
Paper
C4 H8 O3 SP 1 21/n 16.06; 11.185; 9.186
90; 101.32; 90
610.5Hellier, D.G.; Luger, P.; Buschmann, J.
Chemistry of the S=O bond. 13. Structures of isomers 1 (I) and 2 (II) of 4-methyl-1,3,2-dioxathiane 2-oxide and 1,3,2-dioxathiepane 2-oxide (III) at 256, 240 and 228 K
Acta Crystallographica Section B, 1996, 52, 505-508
2101529 CIF
Paper
C21 H25 Cl N2 O4P 21 21 217.81; 15.007; 18.326
90; 90; 90
2147.9Declercq, J.-P.; Dubourg, A.; Payrastre, C.; Mazières, M.-R.; Madaule, Y.; Wolf, J.-G.
Structure of 1,5-bis(dimethylamino)-1,5-diphenylpentadienylium perchlorate and modelling of pentadienylium salts (cyanine dyes)
Acta Crystallographica Section B, 1996, 52, 500-504
2101530 CIF
Paper
C27 H50 O6P 21 21 216.234; 15.628; 30.749
90; 90; 90
2995.7Suwińska, K.; Kutner, A.
Crystal and molecular structure of 1,25-dihydroxycholecalciferol
Acta Crystallographica Section B, 1996, 52, 550-554
2101531 CIF
Paper
C23 H29 Br N3 O3.5C 1 2/c 121.916; 15.207; 14.052
90; 101.56; 90
4588.2Dalpiaz, A.; Ferretti, V.; Gilli, P.; Bertolasi, V.
Stereochemistry of serotonin receptor ligands from crystallographic data. Crystal structures of NAN-190.HBr, 1-phenylbiguanide, MDL 72222 and mianserin.HCl and selectivity criteria towards 5-HT~1~, 5-HT~2~ and 5-HT~3~ receptor subtypes
Acta Crystallographica Section B, 1996, 52, 509-518
2101532 CIF
Paper
C8 H11 N5P 1 21/c 19.781; 35.04; 11
90; 97.72; 90
3735.8Dalpiaz, A.; Ferretti, V.; Gilli, P.; Bertolasi, V.
Stereochemistry of serotonin receptor ligands from crystallographic data. Crystal structures of NAN-190.HBr, 1-phenylbiguanide, MDL 72222 and mianserin.HCl and selectivity criteria towards 5-HT~1~, 5-HT~2~ and 5-HT~3~ receptor subtypes
Acta Crystallographica Section B, 1996, 52, 509-518
2101533 CIF
Paper
C15 H17 Cl2 N O2P -18.48; 9.84; 10.158
90.04; 111.77; 105.07
755.6Dalpiaz, A.; Ferretti, V.; Gilli, P.; Bertolasi, V.
Stereochemistry of serotonin receptor ligands from crystallographic data. Crystal structures of NAN-190.HBr, 1-phenylbiguanide, MDL 72222 and mianserin.HCl and selectivity criteria towards 5-HT~1~, 5-HT~2~ and 5-HT~3~ receptor subtypes
Acta Crystallographica Section B, 1996, 52, 509-518
2101534 CIF
Paper
C18 H21 Cl N2P 1 21/a 19.014; 14.917; 12.412
90; 108.84; 90
1579.5Dalpiaz, A.; Ferretti, V.; Gilli, P.; Bertolasi, V.
Stereochemistry of serotonin receptor ligands from crystallographic data. Crystal structures of NAN-190.HBr, 1-phenylbiguanide, MDL 72222 and mianserin.HCl and selectivity criteria towards 5-HT~1~, 5-HT~2~ and 5-HT~3~ receptor subtypes
Acta Crystallographica Section B, 1996, 52, 509-518
2101535 CIF
Paper
Fe3 O4F d -3 m {origin @ centre (-3m)}8.3922; 8.3922; 8.3922
90; 90; 90
591.05Okudera, H.; Kihara, K.; Matsumoto, T.
Temperature dependence of structure parameters in natural magnetite: single crystal X-ray studies from 126 to 773 K
Acta Crystallographica Section B, 1996, 52, 450-457
2101536 CIF
Paper
C6 H19 N4 O7 PP 1 21 17.333; 7.93; 10.81
90; 98; 90
622.5Espinosa, E.; Lecomte, C.; Molins, E.; Veintemillas, S.; Cousson, A.; Paulus, W.
Electron density study of a new non-linear optical material: <small>L</small>-arginine phosphate monohydrate (LAP). Comparison between <i>X</i>‒<i>X</i> and <i>X</i>‒(<i>X</i> + <i>N</i>) refinements
Acta Crystallographica Section B, 1996, 52, 519-534
2101537 CIF
Paper
C6 H19 N4 O7 PP 1 21 17.319; 7.912; 10.779
90; 98.05; 90
618Espinosa, E.; Lecomte, C.; Molins, E.; Veintemillas, S.; Cousson, A.; Paulus, W.
Electron density study of a new non-linear optical material: <small>L</small>-arginine phosphate monohydrate (LAP). Comparison between <i>X</i>‒<i>X</i> and <i>X</i>‒(<i>X</i> + <i>N</i>) refinements
Acta Crystallographica Section B, 1996, 52, 519-534
2101538 CIF
Paper
C6 H19 N4 O7 PP 1 21 17.319; 7.912; 10.779
90; 98.05; 90
618Espinosa, E.; Lecomte, C.; Molins, E.; Veintemillas, S.; Cousson, A.; Paulus, W.
Electron density study of a new non-linear optical material: <small>L</small>-arginine phosphate monohydrate (LAP). Comparison between <i>X</i>‒<i>X</i> and <i>X</i>‒(<i>X</i> + <i>N</i>) refinements
Acta Crystallographica Section B, 1996, 52, 519-534
2101539 CIF
Paper
H I O SrP n m a7.7294; 4.24697; 10.7374
90; 90; 90
352.472Peter, S.; Cockcroft, J. K.; Roisnel, T.; Lutz, H. D.
Distance limits of OH···<i>Y</i> hydrogen bonds (<i>Y</i> = Cl, Br, I) in solid hydroxides, structure refinement of laurionite-type Ba(OD)I, Sr(OD)I and Sr(OH)I by neutron and synchrotron X-ray powder diffraction
Acta Crystallographica Section B, 1996, 52, 423-427
2101540 CIF
Paper
C7 H8 K2 O7 S2P 1 21/c 110.674; 10.79; 10.543
90; 99.97; 90
1195.9Nagel, N.; Eller, P.; Bock, H.
Benzene-1,2-disulfonate dianion: another compound with meshed cogwheel substituents?
Acta Crystallographica Section B, 1996, 52, 562-568
2101541 CIF
Paper
C10 H17 K N O6.5 S2P 1 21/m 110.891; 6.657; 21.212
90; 101.64; 90
1506.3Nagel, N.; Eller, P.; Bock, H.
Benzene-1,2-disulfonate dianion: another compound with meshed cogwheel substituents?
Acta Crystallographica Section B, 1996, 52, 562-568
2101542 CIF
Paper
C11 H14 N6P -110.717; 7.762; 7.418
71.078; 82.838; 78.941
571.585Karfunkel, H. R.; Wu, Z. J.; Burkhard, A.; Rihs, G.; Sinnreich, D.; Buerger, H. M.; Stanek, J.
Crystal packing calculations and Rietveld refinement in elucidating the crystal structures of two modifications of 4-amidinoindanone guanylhydrazone
Acta Crystallographica Section B, 1996, 52, 555-561
2101543 CIF
Paper
C11 H14 N6P 1 21/c 18.09; 7.929; 17.518
90; 90; 90
1123.7Karfunkel, H. R.; Wu, Z. J.; Burkhard, A.; Rihs, G.; Sinnreich, D.; Buerger, H. M.; Stanek, J.
Crystal packing calculations and Rietveld refinement in elucidating the crystal structures of two modifications of 4-amidinoindanone guanylhydrazone
Acta Crystallographica Section B, 1996, 52, 555-561
2101544 CIF
Paper
C18 H20 Cl2 N2 O4P n m a18.086; 6.983; 14.363
90; 90; 90
1814Wozniak, K.; Wilson, C. C.; Knight, K. S.; Jones, W.; Grech, E.
Neutron diffraction of a complex of 1,8-bis(dimethylamino)naphthalene with 1,2-dichloromaleic acid
Acta Crystallographica Section B, 1996, 52, 691-696
2101545 CIF
Paper
Ba Cu O5 Y2P n m a12.1793; 5.6591; 7.1323
90; 90; 90
491.59Hsu, Rebekah M.; Maslen, Edward N.; Ishizawa, Nobuo
A synchrotron X-ray study of the electron density in Y~2~BaCuO~5~
Acta Crystallographica Section B, 1996, 52, 569-575
2101546 CIF
Paper
C28 H51 N O5P 1 21 113.226; 7.871; 14.028
90; 104.71; 90
1412.5Briozzo, P.; Kondo, T.; Sada, K.; Miyata, M.; Miki, K.
Structures of three inclusion compounds of cholanamide with either (<i>S</i>)-enantiomer, (<i>R</i>)-enantiomer or an optically resolved mixture of butan-2-ol
Acta Crystallographica Section B, 1996, 52, 728-733
2101547 CIF
Paper
C28 H51 N O5P 1 21 113.286; 7.853; 14.075
90; 105.12; 90
1417.7Briozzo, P.; Kondo, T.; Sada, K.; Miyata, M.; Miki, K.
Structures of three inclusion compounds of cholanamide with either (<i>S</i>)-enantiomer, (<i>R</i>)-enantiomer or an optically resolved mixture of butan-2-ol
Acta Crystallographica Section B, 1996, 52, 728-733
2101548 CIF
Paper
C28 H51 N O5P 1 21 113.251; 7.869; 14.045
90; 104.82; 90
1415.8Briozzo, P.; Kondo, T.; Sada, K.; Miyata, M.; Miki, K.
Structures of three inclusion compounds of cholanamide with either (<i>S</i>)-enantiomer, (<i>R</i>)-enantiomer or an optically resolved mixture of butan-2-ol
Acta Crystallographica Section B, 1996, 52, 728-733
2101549 CIF
Paper
Cl La OP 4/n m m :24.1198; 4.1198; 6.8831
90; 90; 90
116.83E. N. Maslen; V. A. Streltsov; N. R. Streltsova; N. Ishizawa
Synchrotron X-ray electron density in the layered LaOCl structure
Acta Crystallographica Section B, 1996, 52, 576-579
2101550 CIF
Paper
C11 H12 N2 O2P 1 21/c 111.376; 6.4421; 14.419
90; 90.01; 90
1056.7Halcrow, M. A.; Powell, H. R.; Duer, M. J.
Tautomerism in 3{5}-(dimethoxyphenyl)pyrazoles
Acta Crystallographica Section B, 1996, 52, 746-752
2101551 CIF
Paper
C11 H13 N2 O2.5C 1 2/c 130.524; 8.9917; 8.1542
90; 101.057; 90
2196.5Halcrow, M. A.; Powell, H. R.; Duer, M. J.
Tautomerism in 3{5}-(dimethoxyphenyl)pyrazoles
Acta Crystallographica Section B, 1996, 52, 746-752
2101552 CIF
Paper
C4 H4 F8 N3 O2 P3P -112.392; 16.569; 19.257
110.22; 90.02; 97.1
3677.8Wang, Z.; Willett, R. D.; Elias, A. J.; Kirchmeier, R. L.; Shreeve, J. M.
Structure of the polytypic β-form of P~3~N~3~(OCH~2~CF~2~CF~2~CH~2~O)F~4~
Acta Crystallographica Section B, 1996, 52, 643-650
2101553 CIF
HKL
Paper
C16 H12 Cl F3 N2 O2 SP 1 21/c 16.0144; 22.4675; 12.0544
90; 91.224; 90
1628.52Brock, C. P.; DeLaLuz, P. J.; Golinski, M.; Lloyd, M. A.; Vanaman, T. C.; Watt, D. S.
Planarity of nitro-substituted phenothiazines
Acta Crystallographica Section B, 1996, 52, 713-719
2101554 CIF
HKL
Paper
C16 H15 Cl N2 O2 SP 1 21/c 19.3191; 18.4382; 9.206
90; 104.004; 90
1534.8Brock, C. P.; DeLaLuz, P. J.; Golinski, M.; Lloyd, M. A.; Vanaman, T. C.; Watt, D. S.
Planarity of nitro-substituted phenothiazines
Acta Crystallographica Section B, 1996, 52, 713-719
2101555 CIF
Paper
C12 H5 F3 N2 O2 SP -16.9087; 11.9009; 14.3626
85.715; 78.994; 82.86
1148.6Brock, C. P.; DeLaLuz, P. J.; Golinski, M.; Lloyd, M. A.; Vanaman, T. C.; Watt, D. S.
Planarity of nitro-substituted phenothiazines
Acta Crystallographica Section B, 1996, 52, 713-719
2101556 CIF
Paper
Al3 Cl Na4 O12 Si3P -4 3 n8.882; 8.882; 8.882
90; 90; 90
700.7McMullan, R. K.; Ghose, S.; Haga, N.; Schomaker, V.
Sodalite, Na~4~Si~3~Al~3~O~12~Cl: structure and ionic mobility at high temperatures by neutron diffraction
Acta Crystallographica Section B, 1996, 52, 616-627
2101557 CIF
Paper
C9 H10 Cl2 N2 OP 1 21/a 19.191; 14.632; 7.738
90; 101.32; 90
1020.38Pfefer, G.; Boistelle, R.
Experimental and theoretical morphologies of diuron, <i>N</i>'-(3,4-dichlorophenyl)-<i>N</i>,<i>N</i>-dimethylurea
Acta Crystallographica, Section B: Structural Science, 1996, 52, 662-667
2101558 CIF
Paper
C8 H10 O2P 1 21/c 16.386; 11.264; 10.105
90; 103.78; 90
705.95Yufit, D. S.; Mallinson, P. R.; Muir, K. W.; Kozhushkov, S. I.; De Meijere, A.
Experimental charge density study of 7-dispiro[2.0.2.1]heptane carboxylic acid
Acta Crystallographica Section B, 1996, 52, 668-676
2101559 CIF
Paper
O6 Sb2 WF -111.132; 9.896; 18.482
90.2; 96.87; 90.21
2021.4Ling, C. D.; Withers, R. L.; Rae, A. D.; Schmid, S.; Thompson, J. G.
Antiferroelectric modulations in Sb~2~WO~6~ and Sb~2~MoO~6~
Acta Crystallographica Section B, 1996, 52, 610-615
2101560 CIF
Paper
Bi2 RhP -16.743; 7.03; 7.067
104.76; 100.73; 105.79
299.74Ruck, M.
Kristallstruktur und zwillingsbildung der intermetallischen phase β-Bi~2~Rh
Acta Crystallographica Section B, 1996, 52, 605-609
2101561 CIF
Paper
C10 H8 F N O2C 1 2/c 117.294; 13.875; 7.442
90; 103.88; 90
1733.6Antolić, A.; Kojić-Prodić, B.; Tomić, S.; Nigović, B.; Magnus, V.; Cohen, J. D.
Structural studies on monofluorinated derivatives of the phytohormone indole-3-acetic acid (auxin)
Acta Crystallographica Section B, 1996, 52, 651-661
2101562 CIF
Paper
C10 H8 F N O2P 1 21/c 119.284; 5.083; 9.939
90; 117.28; 90
865.9Antolić, A.; Kojić-Prodić, B.; Tomić, S.; Nigović, B.; Magnus, V.; Cohen, J. D.
Structural studies on monofluorinated derivatives of the phytohormone indole-3-acetic acid (auxin)
Acta Crystallographica Section B, 1996, 52, 651-661
2101563 CIF
Paper
C10 H8 F N O2P 1 21/a 19.36; 5.167; 17.751
90; 93.75; 90
856.7Antolić, A.; Kojić-Prodić, B.; Tomić, S.; Nigović, B.; Magnus, V.; Cohen, J. D.
Structural studies on monofluorinated derivatives of the phytohormone indole-3-acetic acid (auxin)
Acta Crystallographica Section B, 1996, 52, 651-661
2101564 CIF
Paper
C10 H8 F N O2P 1 21/a 19.935; 5.0059; 17.61
90; 102.13; 90
856.3Antolić, A.; Kojić-Prodić, B.; Tomić, S.; Nigović, B.; Magnus, V.; Cohen, J. D.
Structural studies on monofluorinated derivatives of the phytohormone indole-3-acetic acid (auxin)
Acta Crystallographica Section B, 1996, 52, 651-661
2101565 CIF
Paper
C12 H12 Br2 O6P 1 21/n 19.622; 7.853; 19.103
90; 93.11; 90
1441.3Näther, C.; Nagel, N.; Bock, H.; Seitz, W.; Havlas, Z.
Structural, kinetic and thermodynamic aspects of the conformational dimorphism of diethyl 3,6-dibromo-2,5-dihydroxyterephthalate
Acta Crystallographica Section B, 1996, 52, 697-706
2101566 CIF
Paper
C12 H12 Br2 O6P 1 21/c 18.267; 25.037; 7.526
90; 113.44; 90
1429.2Näther, C.; Nagel, N.; Bock, H.; Seitz, W.; Havlas, Z.
Structural, kinetic and thermodynamic aspects of the conformational dimorphism of diethyl 3,6-dibromo-2,5-dihydroxyterephthalate
Acta Crystallographica Section B, 1996, 52, 697-706
2101567 CIF
Paper
C16 H24 Br2 O8P -18.002; 8.232; 8.966
116.82; 96.1; 102.29
500.9Näther, C.; Nagel, N.; Bock, H.; Seitz, W.; Havlas, Z.
Structural, kinetic and thermodynamic aspects of the conformational dimorphism of diethyl 3,6-dibromo-2,5-dihydroxyterephthalate
Acta Crystallographica Section B, 1996, 52, 697-706
2101568 CIF
Paper
Ce2 Ga15 Pt6P 63/m m c4.3267; 4.3267; 16.5369
90; 90; 120
268.1Kwei, G. H.; Lawson, A. C.; Larson, A. C.; Morosin, B.; Larson, E. M.; Canfield, P. C.
Structure of Ce~2~Pt~6~Ga~15~: interplanar disorder from the Ce~2~Ga~3~ layers
Acta Crystallographica Section B, 1996, 52, 580-585
2101569 CIF
Paper
Ce2 Ga15 Pt6P 63/m m c4.335; 4.335; 16.564
90; 90; 120
269.6Kwei, G. H.; Lawson, A. C.; Larson, A. C.; Morosin, B.; Larson, E. M.; Canfield, P. C.
Structure of Ce~2~Pt~6~Ga~15~: interplanar disorder from the Ce~2~Ga~3~ layers
Acta Crystallographica Section B, 1996, 52, 580-585
2101570 CIF
Paper
Ce2 Ga15 Pt6P 63/m m c4.3259; 4.3259; 16.522
90; 90; 120
267.76Kwei, G. H.; Lawson, A. C.; Larson, A. C.; Morosin, B.; Larson, E. M.; Canfield, P. C.
Structure of Ce~2~Pt~6~Ga~15~: interplanar disorder from the Ce~2~Ga~3~ layers
Acta Crystallographica Section B, 1996, 52, 580-585
2101571 CIF
Paper
C12 H15 N O4C 1 2/c 110.03; 9.84; 21.625
90; 90.87; 90
2134Kruger, H. G.; Martins, F. J. C.; Viljoen, A. M.; Boeyens, J. C. A.; Cook, L. M.; Levendis, D. C.
Structure and conformation of the hydrate of 8,11-dihydroxypentacyclo[5.4.0.0^2,6^.0^3,10^.0^5,9^]undecane-8,11-carbolactam
Acta Crystallographica Section B, 1996, 52, 838-841
2101572 CIF
Paper
C H8 F6 N4 ZrP b a 210.089; 18.349; 7.56
90; 90; 90
1399.5Abrahams, S. C.; Mirsky, K.; Nielson, R. M.
Prediction of ferroelectricity in recent Inorganic Crystal Structure Database entries under space group <i>Pba</i>2
Acta Crystallographica Section B, 1996, 52, 806-809
2101573 CIF
Paper
Ba0.6 Bi K0.4 O2.3P b a 26.127; 12.016; 4.378
90; 90; 90
322.317Abrahams, S. C.; Mirsky, K.; Nielson, R. M.
Prediction of ferroelectricity in recent Inorganic Crystal Structure Database entries under space group <i>Pba</i>2
Acta Crystallographica Section B, 1996, 52, 806-809
2101574 CIF
Paper
Cl10 Mo N O P2P b a 215.984; 11.412; 4.151
90; 90; 90
757.2Abrahams, S. C.; Mirsky, K.; Nielson, R. M.
Prediction of ferroelectricity in recent Inorganic Crystal Structure Database entries under space group <i>Pba</i>2
Acta Crystallographica Section B, 1996, 52, 806-809
2101575 CIF
Paper
C4 Br0.3 D6 K2 N4 O3 PtP 4 m m9.897; 9.897; 5.784
90; 90; 90
566.5Abrahams, S. C.
New ferroelectric inorganic materials predicted in point group 4<i>mm</i>
Acta Crystallographica Section B, 1996, 52, 790-805
2101576 CIF
Paper
Ba Cu Fe O5 YP 4 m m3.865; 3.865; 7.6425
90; 90; 90
114.17Abrahams, S. C.
New ferroelectric inorganic materials predicted in point group 4<i>mm</i>
Acta Crystallographica Section B, 1996, 52, 790-805
2101577 CIF
Paper
Ba2 O8 Si2 TiP 4 b m8.527; 8.527; 5.2104
90; 90; 90
378.85Abrahams, S. C.
New ferroelectric inorganic materials predicted in point group 4<i>mm</i>
Acta Crystallographica Section B, 1996, 52, 790-805
2101578 CIF
Paper
N2 S4P 42 n m11.146; 11.146; 3.773
90; 90; 90
468.7Abrahams, S. C.
New ferroelectric inorganic materials predicted in point group 4<i>mm</i>
Acta Crystallographica Section B, 1996, 52, 790-805
2101579 CIF
Paper
As2 Ba Ge2P 42 m c7.618; 7.618; 8.5
90; 90; 90
493.3Abrahams, S. C.
New ferroelectric inorganic materials predicted in point group 4<i>mm</i>
Acta Crystallographica Section B, 1996, 52, 790-805
2101580 CIF
Paper
Pu S2P 4 m m3.943; 3.943; 7.962
90; 90; 90
123.8Abrahams, S. C.
New ferroelectric inorganic materials predicted in point group 4<i>mm</i>
Acta Crystallographica Section B, 1996, 52, 790-805
2101581 CIF
Paper
Cl3 Cs EuP 4 m m5.588; 5.588; 5.619
90; 90; 90
175.5Abrahams, S. C.
New ferroelectric inorganic materials predicted in point group 4<i>mm</i>
Acta Crystallographica Section B, 1996, 52, 790-805
2101582 CIF
Paper
Nd0.33 O3 TaP 4 m m7.822; 7.822; 3.883
90; 90; 90
237.58Abrahams, S. C.
New ferroelectric inorganic materials predicted in point group 4<i>mm</i>
Acta Crystallographica Section B, 1996, 52, 790-805
2101583 CIF
Paper
Mn0.04 Ni0.04 O3 Pb Ti0.04 Zr0.44P 4 m m4.0382; 4.0382; 4.1057
90; 90; 90
66.952Abrahams, S. C.
New ferroelectric inorganic materials predicted in point group 4<i>mm</i>
Acta Crystallographica Section B, 1996, 52, 790-805
2101584 CIF
Paper
Ba Cl Cu K O7 V2P 4 b m8.8581; 8.8581; 5.4711
90; 90; 90
429.29Abrahams, S. C.
New ferroelectric inorganic materials predicted in point group 4<i>mm</i>
Acta Crystallographica Section B, 1996, 52, 790-805
2101585 CIF
Paper
Ba6 Co Nb9 O30P 4 b m12.589; 12.589; 4.009
90; 90; 90
635.358Abrahams, S. C.
New ferroelectric inorganic materials predicted in point group 4<i>mm</i>
Acta Crystallographica Section B, 1996, 52, 790-805
2101586 CIF
Paper
K2 Nb2 O14 Si4P 4 b m8.7404; 8.7404; 8.136
90; 90; 90
621.55Abrahams, S. C.
New ferroelectric inorganic materials predicted in point group 4<i>mm</i>
Acta Crystallographica Section B, 1996, 52, 790-805
2101587 CIF
Paper
Cr N NbP 4 b m4.283; 4.283; 7.36
90; 90; 90
135.012Abrahams, S. C.
New ferroelectric inorganic materials predicted in point group 4<i>mm</i>
Acta Crystallographica Section B, 1996, 52, 790-805
2101588 CIF
Paper
K2 O7 Zn6P 42 n m10.912; 10.912; 3.325
90; 90; 90
395.914Abrahams, S. C.
New ferroelectric inorganic materials predicted in point group 4<i>mm</i>
Acta Crystallographica Section B, 1996, 52, 790-805
2101589 CIF
Paper
O6 Se2 VP 4 c c11.22; 11.22; 7.86
90; 90; 90
989Abrahams, S. C.
New ferroelectric inorganic materials predicted in point group 4<i>mm</i>
Acta Crystallographica Section B, 1996, 52, 790-805
2101590 CIF
Paper
H3 Na O3 ZnP 42 b c10.839; 10.839; 5.308
90; 90; 90
623.6Abrahams, S. C.
New ferroelectric inorganic materials predicted in point group 4<i>mm</i>
Acta Crystallographica Section B, 1996, 52, 790-805
2101591 CIF
Paper
Mn O6 Sb Sr2I 4 m m5.526; 5.526; 8.039
90; 90; 90
245.48Abrahams, S. C.
New ferroelectric inorganic materials predicted in point group 4<i>mm</i>
Acta Crystallographica Section B, 1996, 52, 790-805
2101592 CIF
Paper
Cu K Na2 O2I 4 m m4.327; 4.327; 10.891
90; 90; 90
203.9Abrahams, S. C.
New ferroelectric inorganic materials predicted in point group 4<i>mm</i>
Acta Crystallographica Section B, 1996, 52, 790-805
2101593 CIF
Paper
Cl6 H3 In K3 O1.5I 4 m m16.563; 16.563; 18.563
90; 90; 90
5092Abrahams, S. C.
New ferroelectric inorganic materials predicted in point group 4<i>mm</i>
Acta Crystallographica Section B, 1996, 52, 790-805
2101594 CIF
Paper
K1.14 Mg0.57 O4 Si1.43I 4 m m8.957; 8.957; 5.281
90; 90; 90
423.68Abrahams, S. C.
New ferroelectric inorganic materials predicted in point group 4<i>mm</i>
Acta Crystallographica Section B, 1996, 52, 790-805
2101595 CIF
Paper
Al F5 H4 Hg2 O4I 4 c m9.353; 9.353; 7.241
90; 90; 90
633.4Abrahams, S. C.
New ferroelectric inorganic materials predicted in point group 4<i>mm</i>
Acta Crystallographica Section B, 1996, 52, 790-805
2101596 CIF
Paper
F18 Nb3 O Rb5I 4 c m15.525; 15.525; 7.794
90; 90; 90
1878.6Abrahams, S. C.
New ferroelectric inorganic materials predicted in point group 4<i>mm</i>
Acta Crystallographica Section B, 1996, 52, 790-805
2101597 CIF
Paper
Ag S2 YbI 41 m d5.356; 5.356; 11.803
90; 90; 90
338.59Abrahams, S. C.
New ferroelectric inorganic materials predicted in point group 4<i>mm</i>
Acta Crystallographica Section B, 1996, 52, 790-805
2101598 CIF
Paper
Ni2 O8 Sr V2I 41 c d12.1617; 12.1617; 8.3247
90; 90; 90
1231.3Abrahams, S. C.
New ferroelectric inorganic materials predicted in point group 4<i>mm</i>
Acta Crystallographica Section B, 1996, 52, 790-805
2101599 CIF
Paper
C D3 FP 1 21/n 16.4373; 7.5023; 3.9598
90; 101.842; 90
187.167Ibberson, R. M.; Prager, M.
The <i>ab initio</i> crystal structure determination of vapour-deposited methyl fluoride by high-resolution neutron powder diffraction
Acta Crystallographica Section B, 1996, 52, 892-895
2101600 CIF
Paper
H4 O9 P2 TiP 1 21/c 18.611; 4.9933; 16.1507
90; 110.206; 90
651.7Salvadó, M. A.; Pertierra, P.; García-Granda, S.; García, J. R.; Rodríguez, J.; Fernández-Díaz, M. T.
Neutron powder diffraction study of α-Ti(HPO~4~)~2~.H~2~O and α-Hf(HPO~4~)~2~.H~2~O; H-atom positions
Acta Crystallographica Section B, 1996, 52, 896-898
2101601 CIF
Paper
H4 Hf O9 P2P 1 21/c 18.9955; 5.2439; 16.224
90; 111.234; 90
713.37Salvadó, M. A.; Pertierra, P.; García-Granda, S.; García, J. R.; Rodríguez, J.; Fernández-Díaz, M. T.
Neutron powder diffraction study of α-Ti(HPO~4~)~2~.H~2~O and α-Hf(HPO~4~)~2~.H~2~O; H-atom positions
Acta Crystallographica Section B, 1996, 52, 896-898
2101602 CIF
Paper
C12 H8 N4 PtC m c m18.142; 9.361; 6.659
90; 90; 90
1130.9Connick, W. B.; Henling, L. M.; Marsh, R. E.
A revision of the structure of (bipyridyl-<i>N</i>,<i>N</i>')-dicyanoplatinum(II)
Acta Crystallographica Section B, 1996, 52, 817-822
2101603 CIF
Paper
C21 H46 N3 O7 PP 21 21 2116.7042; 24.4881; 6.3891
90; 90; 90
2613.49Souhassou, M.; Schaber, P. M.; Blessing, R. H.
Structure of tris(cyclohexylammonium) phosphoenolpyruvate monohydrate and crystal chemistry of phosphoenolpyruvates
Acta Crystallographica Section B, 1996, 52, 865-875
2101604 CIF
Paper
C8 Cl4 D32 I2 N8 O16 Pt2C 1 2/c 116.65; 5.76; 14.751
90; 99.19; 90
1396.5Bardeau, J.-F.; Bulou, A.; Klooster, W. T.; Koetzle, T. F.; Johnson, S.; Scott, B.; Swanson, B. I.; Eckert, J.
Neutron diffraction study of [Pt(en)~2~][Pt(en)~2~I~2~](ClO~4~)~4~ at 20 K: structure and evidence of a new phase transition
Acta Crystallographica Section B, 1996, 52, 854-864
2101605 CIF
Paper
Ba0.85 Ca2.15 In6 O12P 63/m9.888; 9.888; 3.217
90; 90; 120
272.395Baldinozzi, G.; Goutenoire, F.; Hervieu, M.; Suard, E.; Grebille, D.
Incommensurate modulated disorder in Ba~0.85~Ca~2.15~In~6~O~12~
Acta Crystallographica Section B, 1996, 52, 780-789
2101606 CIF
Paper
C5 Ca Cl2 D15 N O4P n m a10.95; 10.15; 10.82
90; 90; 90
1203Ezpeleta, J. M.; Zúñiga, F. J.; Paulus, W.; Cousson, A.; Hlinka, J.; Quilichini, M.
Structures of room-temperature and ferroelectric (35 K) phases of deuterated betaine calcium chloride dihydrate
Acta Crystallographica Section B, 1996, 52, 810-816
2101607 CIF
Paper
C5 Ca Cl2 D15 N O4P n 21 a10.905; 10; 10.8
90; 90; 90
1177.7Ezpeleta, J. M.; Zúñiga, F. J.; Paulus, W.; Cousson, A.; Hlinka, J.; Quilichini, M.
Structures of room-temperature and ferroelectric (35 K) phases of deuterated betaine calcium chloride dihydrate
Acta Crystallographica Section B, 1996, 52, 810-816
2101608 CIF
Paper
C8 H13 N3 O5P 1 21/c 15.248; 26.485; 7.248
90; 95.47; 90
1002.8Suresh, S.; Vijayan, M.
X-ray studies on crystalline complexes involving amino acids and peptides. XXX. Structural invariance and optical resolution through interactions with an achiral molecule in the histidine complexes of glycolic acid
Acta Crystallographica Section B, 1996, 52, 876-881
2101609 CIF
Paper
C8 H13 N3 O5P 21 21 215.084; 11.012; 17.899
90; 90; 90
1002.1Suresh, S.; Vijayan, M.
X-ray studies on crystalline complexes involving amino acids and peptides. XXX. Structural invariance and optical resolution through interactions with an achiral molecule in the histidine complexes of glycolic acid
Acta Crystallographica Section B, 1996, 52, 876-881
2101610 CIF
Paper
K Li O5 Si2P 1 21 15.9803; 4.7996; 8.1599
90; 93.477; 90
233.78de Jong, B. H. W. S.; Supèr, H. T. J.; Spek, A. L.; Veldman, N.; van Wezel, W.; van der Mee, V.
Structure of KLiSi~2~O~5~ and the hygroscopicity of glassy mixed alkali disilicates
Acta Crystallographica Section B, 1996, 52, 770-776
2101611 CIF
Paper
C16 H14 F3 N O3 SP 1 21/n 16.816; 23.687; 9.966
90; 106.63; 90
1541.7Kojić-Prodić, Biserka; Kiralj, Rudolf; Žinić, Mladen; Alihodžić, Sulejman; Trinajstić, Nenad
Bond length‒bond order relations and calculated geometries for some benzenoid aromatics, including phenanthridine. Structures of 5,6-dimethylphenanthridinium triflate, [<i>N</i>-(6-phenanthridinylmethyl)-aza-18-crown-6-κ^5^<i>O</i>,<i>O</i>',<i>O</i>'',<i>O</i>''',<i>O</i>''''](picrate-κ^2^-<i>O</i>,<i>O</i>')potassium, and [<i>N</i>,<i>N</i>'-bis(6-phenanthridinyl-κ<i>N</i>-methyl)-7,16-diaza-18-crown-6-κ^4^<i>O</i>,<i>O</i>',<i>O</i>'',<i>O</i>''']sodium iodide dichloromethane solvate
Acta Crystallographica Section B, 1996, 52, 823-837
2101612 CIF
Paper
C32 H36 K N5 O12P -19.189; 11.786; 15.805
83.39; 88.29; 75.78
1648.2Kojić-Prodić, Biserka; Kiralj, Rudolf; Žinić, Mladen; Alihodžić, Sulejman; Trinajstić, Nenad
Bond length‒bond order relations and calculated geometries for some benzenoid aromatics, including phenanthridine. Structures of 5,6-dimethylphenanthridinium triflate, [<i>N</i>-(6-phenanthridinylmethyl)-aza-18-crown-6-κ^5^<i>O</i>,<i>O</i>',<i>O</i>'',<i>O</i>''',<i>O</i>''''](picrate-κ^2^-<i>O</i>,<i>O</i>')potassium, and [<i>N</i>,<i>N</i>'-bis(6-phenanthridinyl-κ<i>N</i>-methyl)-7,16-diaza-18-crown-6-κ^4^<i>O</i>,<i>O</i>',<i>O</i>'',<i>O</i>''']sodium iodide dichloromethane solvate
Acta Crystallographica Section B, 1996, 52, 823-837
2101613 CIF
Paper
C41 H46 Cl2 I N4 Na O4I 2 2 210.453; 13.417; 28.526
90; 90; 90
4000.7Kojić-Prodić, Biserka; Kiralj, Rudolf; Žinić, Mladen; Alihodžić, Sulejman; Trinajstić, Nenad
Bond length‒bond order relations and calculated geometries for some benzenoid aromatics, including phenanthridine. Structures of 5,6-dimethylphenanthridinium triflate, [<i>N</i>-(6-phenanthridinylmethyl)-aza-18-crown-6-κ^5^<i>O</i>,<i>O</i>',<i>O</i>'',<i>O</i>''',<i>O</i>''''](picrate-κ^2^-<i>O</i>,<i>O</i>')potassium, and [<i>N</i>,<i>N</i>'-bis(6-phenanthridinyl-κ<i>N</i>-methyl)-7,16-diaza-18-crown-6-κ^4^<i>O</i>,<i>O</i>',<i>O</i>'',<i>O</i>''']sodium iodide dichloromethane solvate
Acta Crystallographica Section B, 1996, 52, 823-837
2101614 CIF
Paper
C10 H9 N3P 1 21/c 18.958; 8.161; 24.104
90; 98.98; 90
1740.6Schödel, H.; Näther, C.; Bock, H.; Butenschön, F.
Trimorphism of 2,2'-dipyridylamine: structures, phase transitions and thermodynamic stabilities
Acta Crystallographica Section B, 1996, 52, 842-853
2101615 CIF
Paper
C10 H9 N3P 1 21/c 19.001; 8.262; 24.234
90; 98.88; 90
1780.6Schödel, H.; Näther, C.; Bock, H.; Butenschön, F.
Trimorphism of 2,2'-dipyridylamine: structures, phase transitions and thermodynamic stabilities
Acta Crystallographica Section B, 1996, 52, 842-853
2101616 CIF
Paper
C6 H14 N4 O6P 1 21/c 15.637; 8.243; 12.258
90; 96.8; 90
565.6Videnova-Adrabińska, V.
Symmetry constraints, molecular recognition and crystal engineering. Comparative structural studies of urea‒butanedioic and urea‒<i>E</i>-butanedioic acid (2:1) cocrystals
Acta Crystallographica Section B, 1996, 52, 1048-1056

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