Crystallography Open Database
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Searching journal of publication like 'Acta crystallographica Section B, Structural science, crystal engineering and materials'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 2101594 | CIF Paper | K1.14 Mg0.57 O4 Si1.43 | I 4 m m | 8.957; 8.957; 5.281 90; 90; 90 | 423.68 | Abrahams, 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 O4 | I 4 c m | 9.353; 9.353; 7.241 90; 90; 90 | 633.4 | Abrahams, 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 Rb5 | I 4 c m | 15.525; 15.525; 7.794 90; 90; 90 | 1878.6 | Abrahams, 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 Yb | I 41 m d | 5.356; 5.356; 11.803 90; 90; 90 | 338.59 | Abrahams, 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 V2 | I 41 c d | 12.1617; 12.1617; 8.3247 90; 90; 90 | 1231.3 | Abrahams, 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 F | P 1 21/n 1 | 6.4373; 7.5023; 3.9598 90; 101.842; 90 | 187.167 | Ibberson, 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 Ti | P 1 21/c 1 | 8.611; 4.9933; 16.1507 90; 110.206; 90 | 651.7 | Salvadó, 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 P2 | P 1 21/c 1 | 8.9955; 5.2439; 16.224 90; 111.234; 90 | 713.37 | Salvadó, 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 Pt | C m c m | 18.142; 9.361; 6.659 90; 90; 90 | 1130.9 | Connick, 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 P | P 21 21 21 | 16.7042; 24.4881; 6.3891 90; 90; 90 | 2613.49 | Souhassou, 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 Pt2 | C 1 2/c 1 | 16.65; 5.76; 14.751 90; 99.19; 90 | 1396.5 | Bardeau, 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 O12 | P 63/m | 9.888; 9.888; 3.217 90; 90; 120 | 272.395 | Baldinozzi, 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 O4 | P n m a | 10.95; 10.15; 10.82 90; 90; 90 | 1203 | Ezpeleta, 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 O4 | P n 21 a | 10.905; 10; 10.8 90; 90; 90 | 1177.7 | Ezpeleta, 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 O5 | P 1 21/c 1 | 5.248; 26.485; 7.248 90; 95.47; 90 | 1002.8 | Suresh, 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 O5 | P 21 21 21 | 5.084; 11.012; 17.899 90; 90; 90 | 1002.1 | Suresh, 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 Si2 | P 1 21 1 | 5.9803; 4.7996; 8.1599 90; 93.477; 90 | 233.78 | de 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 S | P 1 21/n 1 | 6.816; 23.687; 9.966 90; 106.63; 90 | 1541.7 | Kojić-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 O12 | P -1 | 9.189; 11.786; 15.805 83.39; 88.29; 75.78 | 1648.2 | Kojić-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 O4 | I 2 2 2 | 10.453; 13.417; 28.526 90; 90; 90 | 4000.7 | Kojić-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 N3 | P 1 21/c 1 | 8.958; 8.161; 24.104 90; 98.98; 90 | 1740.6 | Schödel, 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 N3 | P 1 21/c 1 | 9.001; 8.262; 24.234 90; 98.88; 90 | 1780.6 | Schödel, 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 O6 | P 1 21/c 1 | 5.637; 8.243; 12.258 90; 96.8; 90 | 565.6 | Videnova-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 |
| 2101617 | CIF Paper | C6 H12 N4 O6 | P 1 21/c 1 | 5.54; 8.227; 12.426 90; 97.22; 90 | 561.86 | Videnova-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 |
| 2101618 | CIF Paper | Cl2 H6 N2 Pd | P 1 | 6.3121; 6.4984; 3.3886 96.604; 97.29; 104.691 | 131.786 | Kirik, S. D.; Solovyov, L. A.; Blokhin, A. I.; Yakimov, I. S.; Blokhina, M. L. Structures and isomerization in diamminedichloropalladium(II) Acta Crystallographica Section B, 1996, 52, 909-916 |
| 2101619 | CIF Paper | Cl2 H6 N2 Pd | P -1 | 6.5398; 6.8571; 6.3573 103.311; 102.454; 100.609 | 262.58 | Kirik, S. D.; Solovyov, L. A.; Blokhin, A. I.; Yakimov, I. S.; Blokhina, M. L. Structures and isomerization in diamminedichloropalladium(II) Acta Crystallographica Section B, 1996, 52, 909-916 |
| 2101620 | CIF Paper | Cl2 H6 N2 Pd | P b c a | 8.154; 8.1482; 7.7945 90; 90; 90 | 517.87 | Kirik, S. D.; Solovyov, L. A.; Blokhin, A. I.; Yakimov, I. S.; Blokhina, M. L. Structures and isomerization in diamminedichloropalladium(II) Acta Crystallographica Section B, 1996, 52, 909-916 |
| 2101621 | CIF Paper | Mo O5 U | P b a a | 12.746; 7.3494; 4.1252 90; 90; 90 | 386.43 | D'yachenko, O. G.; Tabachenko, V. V.; Tali, R.; Kovba, L. M.; Marinder, B.-O.; Sundberg, M. Structure of UMoO~5~ studied by single-crystal X-ray diffraction and high-resolution transmission electron microscopy Acta Crystallographica Section B, 1996, 52, 961-965 |
| 2101622 | CIF Paper | Nb2.11 O14 Sb3.89 Ti | A 1 2/a 1 | 5.519; 4.865; 40.256 90; 91.02; 90 | 1080.7 | Ling, C. D.; Schmid, S.; Thompson, J. G.; Withers, R. L.; Sterns, M. Synthesis and structure refinement of a new type of layered intergrowth phase: Sb~3+<i>x~</i>Nb~3{-~<i>x</i>}TiO~14~ and Sb~3+<i>x~</i>Ta~3{-~<i>x</i>}TiO~14~ Acta Crystallographica Section B, 1996, 52, 932-938 |
| 2101623 | CIF Paper | O14 Sb4.26 Ta1.74 Ti | A 1 2/a 1 | 5.492; 4.837; 40.165 90; 91.08; 90 | 1066.79 | Ling, C. D.; Schmid, S.; Thompson, J. G.; Withers, R. L.; Sterns, M. Synthesis and structure refinement of a new type of layered intergrowth phase: Sb~3+<i>x~</i>Nb~3{-~<i>x</i>}TiO~14~ and Sb~3+<i>x~</i>Ta~3{-~<i>x</i>}TiO~14~ Acta Crystallographica Section B, 1996, 52, 932-938 |
| 2101624 | CIF Paper | C11 H32 N8 O3 S3 | P -1 | 10.3; 14.704; 15.784 75.3; 86.98; 72.25 | 2201.4 | Li, Q.; Mak, T. C. W. Inclusion compounds of thiourea and peralkylated ammonium salts. III. Hydrogen-bonded host lattices built of thiourea and nitrate ions Acta Crystallographica Section B, 1996, 52, 989-998 |
| 2101625 | CIF Paper | C15 H42 N8 O4 S3 | P 1 21/n 1 | 8.433; 9.369; 34.361 90; 91.01; 90 | 2714.4 | Li, Q.; Mak, T. C. W. Inclusion compounds of thiourea and peralkylated ammonium salts. III. Hydrogen-bonded host lattices built of thiourea and nitrate ions Acta Crystallographica Section B, 1996, 52, 989-998 |
| 2101626 | CIF Paper | C5 H16 N4 O3 S | P n m a | 15.72; 8.218; 8.709 90; 90; 90 | 1125.1 | Li, Q.; Mak, T. C. W. Inclusion compounds of thiourea and peralkylated ammonium salts. III. Hydrogen-bonded host lattices built of thiourea and nitrate ions Acta Crystallographica Section B, 1996, 52, 989-998 |
| 2101627 | CIF Paper | C13 H32 N4 O3 S | P 1 21/n 1 | 8.784; 14.421; 15.078 90; 92.31; 90 | 1908.4 | Li, Q.; Mak, T. C. W. Inclusion compounds of thiourea and peralkylated ammonium salts. III. Hydrogen-bonded host lattices built of thiourea and nitrate ions Acta Crystallographica Section B, 1996, 52, 989-998 |
| 2101628 | CIF Paper | C17 H40 N4 O3 S | P n a 21 | 19.934; 12.68; 9.092 90; 90; 90 | 2298.1 | Li, Q.; Mak, T. C. W. Inclusion compounds of thiourea and peralkylated ammonium salts. III. Hydrogen-bonded host lattices built of thiourea and nitrate ions Acta Crystallographica Section B, 1996, 52, 989-998 |
| 2101629 | CIF Paper | In3 O8 P2 | I -4 3 d | 11.152; 11.152; 11.152 90; 90; 90 | 1386.9 | Peltier, V.; L'Haridon, P.; Marchand, R.; Laurent, Y. Synthèse et caractérisation structurale d'un phosphate d'indium In~3~P~2~O~8~ présentant des paires In‒In Acta Crystallographica Section B, 1996, 52, 905-908 |
| 2101630 | CIF Paper | C6 H5 O3 P Pb | P -1 | 13.6907; 9.3327; 7.0432 106.188; 94.927; 96.977 | 851.04 | Cabeza, A.; Aranda, M. A. G.; Martinez-Lara, M.; Bruque, S.; Sanz, J. <i>Ab initio</i> powder structure determination and thermal behavior of a new lead(II) phenylphosphonate, Pb(O~3~PC~6~H~5~) Acta Crystallographica Section B, 1996, 52, 982-988 |
| 2101631 | CIF HKL Paper | C21 H21 N O | P b c a | 31.863; 11.088; 9.4 90; 90; 90 | 3321 | Jones, R.; Rattray, A. G. M.; Rettig, S. J.; Scheffer, J. R.; Trotter, J. Structures and photochemistry of dibenzobarrelene monoamides Acta Crystallographica Section B, 1996, 52, 1007-1013 |
| 2101632 | CIF HKL Paper | C23 H25 N O | P 1 21/c 1 | 10.846; 10.788; 17.0463 90; 107.836; 90 | 1898.7 | Jones, R.; Rattray, A. G. M.; Rettig, S. J.; Scheffer, J. R.; Trotter, J. Structures and photochemistry of dibenzobarrelene monoamides Acta Crystallographica Section B, 1996, 52, 1007-1013 |
| 2101633 | CIF HKL Paper | C32.75 H28.25 Cl0.75 N O | P 1 21/a 1 | 10.228; 32.818; 15.529 90; 99.79; 90 | 5136.6 | Jones, R.; Rattray, A. G. M.; Rettig, S. J.; Scheffer, J. R.; Trotter, J. Structures and photochemistry of dibenzobarrelene monoamides Acta Crystallographica Section B, 1996, 52, 1007-1013 |
| 2101634 | CIF Paper | C10 H19 N3 O4 | P 21 21 2 | 16.419; 15.309; 4.708 90; 90; 90 | 1183.4 | Görbitz, C. H.; Backe, P. H. Structures of <small>L</small>-valyl-<small>L</small>-glutamine and <small>L</small>-glutamyl-<small>L</small>-valine Acta Crystallographica Section B, 1996, 52, 999-1006 |
| 2101635 | CIF Paper | C10 H18 N2 O5 | P 1 21 1 | 6.487; 5.505; 16.741 90; 97.22; 90 | 593.1 | Görbitz, C. H.; Backe, P. H. Structures of <small>L</small>-valyl-<small>L</small>-glutamine and <small>L</small>-glutamyl-<small>L</small>-valine Acta Crystallographica Section B, 1996, 52, 999-1006 |
| 2101636 | CIF Paper | Cu S2 | P 1 21 1 | 5.709; 5.707; 5.708 90; 90.01; 90 | 186 | Marcos, C.; Paniagua, A.; Moreiras, D. B.; García-Granda, S.; Díaz, M. R. Villamaninite, a case of noncubic pyrite-type structure Acta Crystallographica Section B, 1996, 52, 899-904 |
| 2101637 | CIF Paper | Cu S2 | P 1 21 1 | 5.704; 5.703; 5.704 90; 89.99; 90 | 185.5 | Marcos, C.; Paniagua, A.; Moreiras, D. B.; García-Granda, S.; Díaz, M. R. Villamaninite, a case of noncubic pyrite-type structure Acta Crystallographica Section B, 1996, 52, 899-904 |
| 2101638 | CIF Paper | C14 H26 N4 O4 | P 1 21 1 | 5.9078; 24.542; 5.9151 90; 102.039; 90 | 838.76 | Bussien Gaillard, V.; Paciorek, W.; Schenk, K.; Chapuis, G. Hexamethylenetetramine suberate, a strongly anharmonic modulated structure Acta Crystallographica Section B, 1996, 52, 1036-1047 |
| 2101639 | CIF Paper | C14 H26 N4 O4 | P 1 21 1 | 5.835; 24.202; 5.813 90; 101.59; 90 | 804.2 | Bussien Gaillard, V.; Paciorek, W.; Schenk, K.; Chapuis, G. Hexamethylenetetramine suberate, a strongly anharmonic modulated structure Acta Crystallographica Section B, 1996, 52, 1036-1047 |
| 2101640 | CIF Paper | C4 H8 Co O8 | C 1 2/c 1 | 8.9667; 13.356; 6.7119 90; 99.412; 90 | 793 | Lee, Chi-Rung; Wang, Chih-Chieh; Wang, Yu Structural relationship of various squarates Acta Crystallographica Section B, 1996, 52, 966-975 |
| 2101641 | CIF Paper | C4 H8 Ni O8 | C 1 2/c 1 | 8.9315; 13.246; 6.6893 90; 99.43; 90 | 780.7 | Lee, Chi-Rung; Wang, Chih-Chieh; Wang, Yu Structural relationship of various squarates Acta Crystallographica Section B, 1996, 52, 966-975 |
| 2101642 | CIF Paper | C8 H10 Mn O12 | P -1 | 5.194; 7.454; 8.9007 67.07; 77.26; 74.46 | 303.1 | Lee, Chi-Rung; Wang, Chih-Chieh; Wang, Yu Structural relationship of various squarates Acta Crystallographica Section B, 1996, 52, 966-975 |
| 2101643 | CIF Paper | C8 H10 Fe O12 | P -1 | 5.1577; 7.4107; 8.7823 66.846; 77.109; 74.748 | 295.05 | Lee, Chi-Rung; Wang, Chih-Chieh; Wang, Yu Structural relationship of various squarates Acta Crystallographica Section B, 1996, 52, 966-975 |
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