Crystallography Open Database
Search results
Result: there are 10718 entries in the selection
Switch to the old layout of the pageDownload all results as: list of COD numbers | list of CIF URLs | data in CSV format
We are unable to provide that many records as a single archive.
You can instead download the entire COD archive as a single .zip, .tgz or .txz archive.
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 |
|---|---|---|---|---|---|---|
| 2101192 | CIF Paper | C20 H22 O4 | P c a 21 | 7.325; 14.781; 15.535 90; 90; 90 | 1682 | Jones, R.; Scheffer, J. R.; Trotter, J.; Yap, M. Crystal structure and photochemistry of dimethyl 1,4-dihydro-1,4,5,8-tetramethyl-1,4-ethenonaphthalene-2,3-dicarboxylate Acta Crystallographica Section B, 1994, 50, 597-600 |
| 2101193 | CIF Paper | C20 H22 O4 | P b c a | 17.716; 15.298; 13.21 90; 90; 90 | 3580.2 | Jones, R.; Scheffer, J. R.; Trotter, J.; Yap, M. Crystal structure and photochemistry of dimethyl 1,4-dihydro-1,4,5,8-tetramethyl-1,4-ethenonaphthalene-2,3-dicarboxylate Acta Crystallographica Section B, 1994, 50, 597-600 |
| 2101194 | CIF Paper | C64 H32 N16 Nd | 19.544; 19.544; 6.514 90; 90; 90 | 2488.1 | Darovsky, A.; Keserashvili, V.; Harlow, R.; Mutikainen, I. Structure of oxidized forms of neodymium and praseodymium (bis)phthalocyanines Acta Crystallographica Section B, 1994, 50, 582-588 | |
| 2101195 | CIF Paper | C64 H32 N16 Pr | 20.066; 20.066; 6.463 90; 90; 90 | 2602.3 | Darovsky, A.; Keserashvili, V.; Harlow, R.; Mutikainen, I. Structure of oxidized forms of neodymium and praseodymium (bis)phthalocyanines Acta Crystallographica Section B, 1994, 50, 582-588 | |
| 2101196 | CIF Paper | K0.86 O5 P Rb0.14 Ti | P n a 21 | 12.85; 6.4136; 10.5912 90; 90; 90 | 872.87 | Thomas, P. A.; Duhlev, R.; Teat, S. J. A comparative structural study of a flux-grown crystal of K~0.86~Rb~0.14~TiOPO~4~ and an ion-exchanged crystal of K~0.84~Rb~0.16~TiOPO~4~ Acta Crystallographica Section B, 1994, 50, 538-543 |
| 2101197 | CIF Paper | K0.84 O5 P Rb0.16 Ti | P n a 21 | 12.858; 6.4125; 10.592 90; 90; 90 | 873.3 | Thomas, P. A.; Duhlev, R.; Teat, S. J. A comparative structural study of a flux-grown crystal of K~0.86~Rb~0.14~TiOPO~4~ and an ion-exchanged crystal of K~0.84~Rb~0.16~TiOPO~4~ Acta Crystallographica Section B, 1994, 50, 538-543 |
| 2101198 | CIF Paper | Cd Cs2 O12 Si5 | P b c a | 13.6714; 13.824; 13.8939 90; 90; 90 | 2625.86 | Bell, A. M. T.; Redfern, S. A. T.; Henderson, C. M. B.; Kohn, S. C. Structural relations and tetrahedral ordering pattern of synthetic orthorhombic Cs~2~CdSi~5~O~12~ leucite: a combined synchrotron X-ray powder diffraction and multinuclear MAS NMR study Acta Crystallographica Section B, 1994, 50, 560-566 |
| 2101199 | CIF Paper | C6 H2 N3 O7 Tl | P 1 21/a 1 | 15.431; 15.83; 3.951 90; 91.06; 90 | 965 | Botoshansky, M.; Herbstein, F. H.; Kapon, M. Crystallography of metal picrates. II. Crystal structure of yellow thallium(I) picrate; relations among various M(I) picrate phases Acta Crystallographica Section B, 1994, 50, 589-596 |
| 2101200 | CIF Paper | Li4 O4 Si | P 1 21/m 1 | 11.532; 6.075; 16.678 90; 99.04; 90 | 1153.9 | de Jong, B. H. W. S.; Ellerbroek, D.; Spek, A. L. Low-temperature structure of lithium nesosilicate, Li~4~SiO~4~, and its Li~1<i>s~</i> and O~1<i>s~</i> X-ray photoelectron spectrum Acta Crystallographica Section B, 1994, 50, 511-518 |
| 2101201 | CIF Paper | C10 H9 N3 O2 | C 1 2/c 1 | 11.1; 7.96; 21.744 90; 95.82; 90 | 1911.3 | Bertolasi, V.; Gilli, P.; Ferretti, V.; Gilli, G. Intramolecular N–H^{···^}O hydrogen bonding assisted by resonance. III. Structural studies of 1-ketone-2-arylhydrazone derivatives Acta Crystallographica Section B, 1994, 50, 617-625 |
| 2101202 | CIF Paper | C10 H8 N4 O4 | P 1 21/c 1 | 7.046; 7.774; 20.917 90; 98.09; 90 | 1134.3 | Bertolasi, V.; Gilli, P.; Ferretti, V.; Gilli, G. Intramolecular N–H^{···^}O hydrogen bonding assisted by resonance. III. Structural studies of 1-ketone-2-arylhydrazone derivatives Acta Crystallographica Section B, 1994, 50, 617-625 |
| 2101203 | CIF Paper | C10 H8 Cl N3 O2 | P c a 21 | 18.324; 5.771; 20.016 90; 90; 90 | 2116.6 | Bertolasi, V.; Gilli, P.; Ferretti, V.; Gilli, G. Intramolecular N–H^{···^}O hydrogen bonding assisted by resonance. III. Structural studies of 1-ketone-2-arylhydrazone derivatives Acta Crystallographica Section B, 1994, 50, 617-625 |
| 2101204 | CIF Paper | C16 H13 N5 O3 | P 1 21/n 1 | 12.817; 7.595; 15.652 90; 95.74; 90 | 1516 | Bertolasi, V.; Gilli, P.; Ferretti, V.; Gilli, G. Intramolecular N–H^{···^}O hydrogen bonding assisted by resonance. III. Structural studies of 1-ketone-2-arylhydrazone derivatives Acta Crystallographica Section B, 1994, 50, 617-625 |
| 2101205 | CIF Paper | C6 H12 Cl2 Na2 O12 U | I 1 m 1 | 12.217; 16.543; 5.9206 90; 102.57; 90 | 1167.9 | Spengler, R.; Zimmermann, H.; Burzlaff, H.; Jansen, J.; Peschar, R.; Schenk, H. <i>Ab initio</i> structure determination from powder data using direct methods Acta Crystallographica Section B, 1994, 50, 578-582 |
| 2101206 | CIF Paper | C18 H26 O | P 21 a b | 7.057; 14.317; 16.047 90; 90; 90 | 1621.3 | De Ridder, Dirk J.A.^3^; Čapková, Pavla^4^; Hatjisymeon, Kostas^5^; Fraanje, Jan; Schenk, Henk Crystal studies of musk compounds. VIII. Structures of five homologues of musk phantolid Acta Crystallographica Section B, 1994, 50, 607-616 |
| 2101207 | CIF Paper | C16 H22 O | P -1 | 8.232; 9.641; 18.141 78.29; 82.93; 89.7 | 1398.8 | De Ridder, Dirk J.A.^3^; Čapková, Pavla^4^; Hatjisymeon, Kostas^5^; Fraanje, Jan; Schenk, Henk Crystal studies of musk compounds. VIII. Structures of five homologues of musk phantolid Acta Crystallographica Section B, 1994, 50, 607-616 |
| 2101208 | CIF Paper | C16 H22 O | P 1 21/a 1 | 8.232; 11.277; 15.448 90; 105.15; 90 | 1384.2 | De Ridder, Dirk J.A.^3^; Čapková, Pavla^4^; Hatjisymeon, Kostas^5^; Fraanje, Jan; Schenk, Henk Crystal studies of musk compounds. VIII. Structures of five homologues of musk phantolid Acta Crystallographica Section B, 1994, 50, 607-616 |
| 2101209 | CIF Paper | C16 H22 O | P 21 c n | 7.476; 13.093; 14.492 90; 90; 90 | 1418.5 | De Ridder, Dirk J.A.^3^; Čapková, Pavla^4^; Hatjisymeon, Kostas^5^; Fraanje, Jan; Schenk, Henk Crystal studies of musk compounds. VIII. Structures of five homologues of musk phantolid Acta Crystallographica Section B, 1994, 50, 607-616 |
| 2101210 | CIF Paper | C16 H22 O | P 1 21/c 1 | 11.674; 11.298; 32.89 90; 94.91; 90 | 4322 | De Ridder, Dirk J.A.^3^; Čapková, Pavla^4^; Hatjisymeon, Kostas^5^; Fraanje, Jan; Schenk, Henk Crystal studies of musk compounds. VIII. Structures of five homologues of musk phantolid Acta Crystallographica Section B, 1994, 50, 607-616 |
| 2101211 | CIF Paper | Cu6 Sn5 | C 1 2/c 1 | 11.036; 7.288; 9.841 90; 98.81; 90 | 782.18 | Larsson, A.-K.; Stenberg, L.; Lidin, S. The superstructure of domain-twinned η'-Cu~6~Sn~5~ Acta Crystallographica Section B, 1994, 50, 636-643 |
| 2101212 | CIF Paper | Cu6 Sn5 | C 1 2/c 1 | 11.036; 7.288; 9.841 90; 98.81; 90 | 782.18 | Larsson, A.-K.; Stenberg, L.; Lidin, S. The superstructure of domain-twinned η'-Cu~6~Sn~5~ Acta Crystallographica Section B, 1994, 50, 636-643 |
| 2101213 | CIF Paper | C18 H21 Cl N2 O3 S2 | P 1 21/n 1 | 8.5016; 8.2803; 27.447 90; 96.478; 90 | 1919.8 | Marthi, K.; Larsen, S.; Ács, M.; Bálint, J.; Fogassy, E. Structures with identical packing; racemic and partially optically pure 3-(2'-chloro-2'-phenylethyl)-2-thiazolidiniminium <i>p</i>-toluenesulfonate and a comparison of the packing in corresponding racemic and optically active compounds Acta Crystallographica Section B, 1994, 50, 762-771 |
| 2101214 | CIF Paper | C18 H21 Cl N2 O3 S2 | P 1 21 1 | 8.533; 8.2238; 27.477 90; 96.13; 90 | 1917.1 | Marthi, K.; Larsen, S.; Ács, M.; Bálint, J.; Fogassy, E. Structures with identical packing; racemic and partially optically pure 3-(2'-chloro-2'-phenylethyl)-2-thiazolidiniminium <i>p</i>-toluenesulfonate and a comparison of the packing in corresponding racemic and optically active compounds Acta Crystallographica Section B, 1994, 50, 762-771 |
| 2101215 | CIF Paper | C18 H21 Cl N2 O3 S2 | P 1 21 1 | 8.583; 8.19; 27.479 90; 95.7; 90 | 1922.1 | Marthi, K.; Larsen, S.; Ács, M.; Bálint, J.; Fogassy, E. Structures with identical packing; racemic and partially optically pure 3-(2'-chloro-2'-phenylethyl)-2-thiazolidiniminium <i>p</i>-toluenesulfonate and a comparison of the packing in corresponding racemic and optically active compounds Acta Crystallographica Section B, 1994, 50, 762-771 |
| 2101216 | CIF Paper | B Ba Cu La O5 | P 4 b m | 5.5743; 5.5743; 7.5053 90; 90; 90 | 233.21 | Norrestam, R.; Kritikos, M.; Sjödin, A. On the structure and properties of the layered lanthanide (Ln) barium copper oxyborates, LnBaCuO~2~BO~3~ Acta Crystallographica Section B, 1994, 50, 631-636 |
| 2101217 | CIF Paper | C6 H6 N2 O2 S | P b c a | 11.074; 9.152; 14.66 90; 90; 90 | 1485.8 | Chertanova, L.; Pascard, C.; Sheremetev, A. X-ray investigation of glyoxime derivatives. V. Two isomers of 2-(thienyl)glyoxime. A database study of the geometry and hydrogen bonding of the oxime group Acta Crystallographica Section B, 1994, 50, 708-716 |
| 2101218 | CIF Paper | C6 H6 N2 O2 S | P 1 2/c 1 | 12.189; 3.865; 16.022 90; 90.79; 90 | 754.7 | Chertanova, L.; Pascard, C.; Sheremetev, A. X-ray investigation of glyoxime derivatives. V. Two isomers of 2-(thienyl)glyoxime. A database study of the geometry and hydrogen bonding of the oxime group Acta Crystallographica Section B, 1994, 50, 708-716 |
| 2101219 | CIF Paper | C8 H14 O4 | P 1 21/c 1 | 8.71; 5.0885; 9.815 90; 95.07; 90 | 433.31 | Gao, Q.; Weber, H.-P.; Craven, B. M.; McMullan, R. K. Structure of suberic acid at 18.4, 75 and 123 K from neutron diffraction data Acta Crystallographica Section B, 1994, 50, 695-703 |
| 2101220 | CIF Paper | C8 H14 O4 | P 1 21/c 1 | 8.742; 5.0841; 9.85 90; 95.43; 90 | 435.82 | Gao, Q.; Weber, H.-P.; Craven, B. M.; McMullan, R. K. Structure of suberic acid at 18.4, 75 and 123 K from neutron diffraction data Acta Crystallographica Section B, 1994, 50, 695-703 |
| 2101221 | CIF Paper | C8 H14 O4 | P 1 21/c 1 | 8.784; 5.0721; 9.889 90; 95.95; 90 | 438.21 | Gao, Q.; Weber, H.-P.; Craven, B. M.; McMullan, R. K. Structure of suberic acid at 18.4, 75 and 123 K from neutron diffraction data Acta Crystallographica Section B, 1994, 50, 695-703 |
| 2101222 | CIF Paper | C9 H10 N2 | P 1 21/c 1 | 7.022; 7.597; 15.812 90; 90.88; 90 | 843.4 | Jameson, G. B.; Sheikh-Ali, B. M.; Weiss, R. G. Dimethylaminobenzonitrile: structure of the lower-temperature solid phase. Comparison with the structure of the higher-temperature phase and correlation with optical spectroscopic properties Acta Crystallographica Section B, 1994, 50, 703-707 |
| 2101223 | CIF Paper | C9 H10 N2 | P 1 21/c 1 | 6.312; 7.933; 17.216 90; 91.58; 90 | 861.7 | Jameson, G. B.; Sheikh-Ali, B. M.; Weiss, R. G. Dimethylaminobenzonitrile: structure of the lower-temperature solid phase. Comparison with the structure of the higher-temperature phase and correlation with optical spectroscopic properties Acta Crystallographica Section B, 1994, 50, 703-707 |
| 2101224 | CIF Paper | C16 H26 N4 O11 S2 | P -1 | 9.165; 10.149; 12.623 87.43; 88.07; 71 | 1108.8 | Ojala, W. H.; Lu, L. K.; Albers, K. E.; Gleason, W. B.; Richardson, T. I.; Lovrien, R. E.; Sudbeck, E. A. Intermolecular interactions of sulfonated azo dyes: crystal structures of the diammonium, dilithium, magnesium and calcium salts of 7-hydroxy-8-(phenylazo)-1,3-naphthalenedisulfonic acid(Orange G) Acta Crystallographica Section B, 1994, 50, 684-694 |
| 2101225 | CIF Paper | C16 H26 Li2 N2 O15 S2 | P -1 | 9.589; 10.495; 14.208 99.61; 100.58; 115.81 | 1215.1 | Ojala, W. H.; Lu, L. K.; Albers, K. E.; Gleason, W. B.; Richardson, T. I.; Lovrien, R. E.; Sudbeck, E. A. Intermolecular interactions of sulfonated azo dyes: crystal structures of the diammonium, dilithium, magnesium and calcium salts of 7-hydroxy-8-(phenylazo)-1,3-naphthalenedisulfonic acid(Orange G) Acta Crystallographica Section B, 1994, 50, 684-694 |
| 2101226 | CIF Paper | C16 H26 Mg N2 O15 S2 | P -1 | 8.844; 10.179; 13.901 79.18; 79.49; 79.49 | 1194.2 | Ojala, W. H.; Lu, L. K.; Albers, K. E.; Gleason, W. B.; Richardson, T. I.; Lovrien, R. E.; Sudbeck, E. A. Intermolecular interactions of sulfonated azo dyes: crystal structures of the diammonium, dilithium, magnesium and calcium salts of 7-hydroxy-8-(phenylazo)-1,3-naphthalenedisulfonic acid(Orange G) Acta Crystallographica Section B, 1994, 50, 684-694 |
| 2101227 | CIF Paper | C16 H28 Ca N2 O16 S2 | P 1 21/n 1 | 9.395; 27.492; 10.368 90; 111.62; 90 | 2489.5 | Ojala, W. H.; Lu, L. K.; Albers, K. E.; Gleason, W. B.; Richardson, T. I.; Lovrien, R. E.; Sudbeck, E. A. Intermolecular interactions of sulfonated azo dyes: crystal structures of the diammonium, dilithium, magnesium and calcium salts of 7-hydroxy-8-(phenylazo)-1,3-naphthalenedisulfonic acid(Orange G) Acta Crystallographica Section B, 1994, 50, 684-694 |
| 2101228 | CIF Paper | As K O5 Ti | P n a 21 | 13.13; 6.581; 10.781 90; 90; 90 | 931.6 | Mayo, S. C.; Thomas, P. A.; Teat, S. J.; Loiacono, G. M.; Loiacono, D. N. Structure and non-linear optical properties of KTiOAsO~4~ Acta Crystallographica Section B, 1994, 50, 655-662 |
| 2101229 | CIF Paper | C3 H3 N3 O2 | P -1 | 9.8831; 9.6688; 8.3417 81.139; 100.076; 105.966 | 749.81 | Llamas-Saiz, A. L.; Foces-Foces, C.; Cano, F. H.; Jiménez, P.; Laynez, J.; Meutermans, W.; Elguero, J.; Limbach, H.-H.; Aguilar-Parrilla, F. The influence of the nitro group on the solid-state structure of 4-nitropyrazoles: the cases of pyrazole, 3,5-dimethylpyrazole, 3,5-di-<i>tert</i>-butylpyrazole and 3,5-diphenylpyrazole. I. Static aspects (crystallography and thermodynamics) Acta Crystallographica Section B, 1994, 50, 746-762 |
| 2101230 | CIF Paper | C11 H19 N3 O2 | P 1 21/c 1 | 10.6407; 9.618; 12.6649 90; 107.962; 90 | 1232.98 | Llamas-Saiz, A. L.; Foces-Foces, C.; Cano, F. H.; Jiménez, P.; Laynez, J.; Meutermans, W.; Elguero, J.; Limbach, H.-H.; Aguilar-Parrilla, F. The influence of the nitro group on the solid-state structure of 4-nitropyrazoles: the cases of pyrazole, 3,5-dimethylpyrazole, 3,5-di-<i>tert</i>-butylpyrazole and 3,5-diphenylpyrazole. I. Static aspects (crystallography and thermodynamics) Acta Crystallographica Section B, 1994, 50, 746-762 |
| 2101231 | CIF Paper | C15 H11 N3 O2 | P 1 21/c 1 | 18.1399; 12.0814; 11.5184 90; 99.339; 90 | 2490.9 | Llamas-Saiz, A. L.; Foces-Foces, C.; Cano, F. H.; Jiménez, P.; Laynez, J.; Meutermans, W.; Elguero, J.; Limbach, H.-H.; Aguilar-Parrilla, F. The influence of the nitro group on the solid-state structure of 4-nitropyrazoles: the cases of pyrazole, 3,5-dimethylpyrazole, 3,5-di-<i>tert</i>-butylpyrazole and 3,5-diphenylpyrazole. I. Static aspects (crystallography and thermodynamics) Acta Crystallographica Section B, 1994, 50, 746-762 |
| 2101232 | CIF Paper | C21 H39 O18 | P 6 | 23.725; 23.725; 7.935 90; 90; 120 | 3868 | Le Bas, G.; Mason, S. A. Neutron diffraction structure of α-cyclodextrin cyclopentanone hydrate at 20 K: host‒guest interactive disorder Acta Crystallographica Section B, 1994, 50, 717-724 |
| 2101233 | CIF Paper | C2 H6 Cu O12 Zn3 | P 1 21/m 1 | 13.82; 6.419; 5.29 90; 101.04; 90 | 461 | Harding, M. M.; Kariuki, B. M.; Cernik, R.; Cressey, G. The structure of aurichalcite, (Cu,Zn)~5~(OH)~6~(CO~3~)~2~, determined from a microcrystal Acta Crystallographica Section B, 1994, 50, 673-676 |
| 2101234 | CIF Paper | O2 Zr | F m -3 m | 5.14335; 5.14335; 5.14335 90; 90; 90 | 136.062 | Yashima, M.; Sasaki, S.; Kakihana, M.; Yamaguchi, Y.; Arashi, H.; Yoshimura, M. Oxygen-induced structural change of the tetragonal phase around the tetragonal‒cubic phase boundary in ZrO~2~‒YO~1.5~ solid solutions Acta Crystallographica Section B, 1994, 50, 663-672 |
| 2101235 | CIF Paper | Nb Te4 | P 4/m | 6.4835; 6.4835; 6.8217 90; 90; 90 | 286.76 | Kusz, J.; Böhm, H. The low-temperature structure of NbTe~4~ Acta Crystallographica Section B, 1994, 50, 649-655 |
| 2101236 | CIF Paper | Nb Te4 | P 4/m c c | 6.4835; 6.4835; 6.8217 90; 90; 90 | 286.76 | Kusz, J.; Böhm, H. The low-temperature structure of NbTe~4~ Acta Crystallographica Section B, 1994, 50, 649-655 |
| 2101237 | CIF Paper | Nb Te4 | P 4 | 12.967; 12.967; 20.465 90; 90; 90 | 3441.05 | Kusz, J.; Böhm, H. The low-temperature structure of NbTe~4~ Acta Crystallographica Section B, 1994, 50, 649-655 |
| 2101238 | CIF Paper | C14 H18 N2 O4 | P 21 21 21 | 9.6789; 15.6129; 9.5209 90; 90; 90 | 1438.8 | De Ridder, D. J. A.; Schenk, H. Crystal studies of musk compounds. XI. Molecular structures of musk moskene and two homologues Acta Crystallographica Section B, 1994, 50, 724-730 |
| 2101239 | CIF Paper | C15 H21 N O2 | P 1 21/n 1 | 8.623; 10.6; 15.366 90; 94.49; 90 | 1400.2 | De Ridder, D. J. A.; Schenk, H. Crystal studies of musk compounds. XI. Molecular structures of musk moskene and two homologues Acta Crystallographica Section B, 1994, 50, 724-730 |
| 2101240 | CIF Paper | C15 H20 N2 O4 | P 1 21/n 1 | 8.364; 11.668; 15.996 90; 100.17; 90 | 1536.5 | De Ridder, D. J. A.; Schenk, H. Crystal studies of musk compounds. XI. Molecular structures of musk moskene and two homologues Acta Crystallographica Section B, 1994, 50, 724-730 |
| 2101241 | CIF Paper | C16 H23 N O2 | P 1 21/n 1 | 8.695; 10.448; 16.31 90; 90.09; 90 | 1481.7 | De Ridder, D. J. A.; Fraanje, J.; Goubitz, K.; Schenk, H. Crystal studies of musk compounds. XII. Molecular structures of three nitrotetralin-related compounds Acta Crystallographica Section B, 1994, 50, 730-737 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!