Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1000053 | CIF | Mg O | F m -3 m | 4.217; 4.217; 4.217 90; 90; 90 | 75 | Sasaki, Satoshi; Fujino, Kiyoshi; Takéuchi, Yoshio X-Ray Determination of Electron-Density Distributions in Oxides, MgO, MnO, CoO, and NiO, and Atomic Scattering Factors of their Constituent Atoms Proceedings of the Japan Academy, Series B: Physical and Biological Sciences, 1979, 55, 43-48 |
| 1000219 | CIF | Ba F9 Fe2 Na | P 1 21/n 1 | 7.3236; 17.4525; 5.4586 90; 91.84; 90 | 697.3 | De Kozak, A; Samouel, M; Leblanc, M; Ferey, G; Pannetier, J Magnetic structure of the canted 1D-antiferromagnet Na Ba Fe~2~ F~9~ Solid State Communications, 1985, 55, 887-890 |
| 1001672 | CIF | Fe2 O8 Sr3 Tl0.95 | P 4/m m m | 3.811; 3.811; 12.78 90; 90; 90 | 185.6 | Daniel, P; Barbey, L; Nguyen, N; Ducouret, A; Groult, D; Raveau, B New mixed-valent iron oxides with the 1212-type structure: Tl1-x Pbx Sr3 Fe2 O8 Journal of Physics and Chemistry of Solids, 1994, 55, 795-802 |
| 1001673 | CIF | Fe2 O8 Pb0.485 Sr3 Tl0.485 | P 4/m m m | 3.818; 3.818; 12.834 90; 90; 90 | 187.1 | Daniel, P; Barbey, L; Nguyen, N; Ducouret, A; Groult, D; Raveau, B New mixed-valent iron oxides with the 1212-type structure: Tl1-x Pbx Sr3 Fe2 O8 Journal of Physics and Chemistry of Solids, 1994, 55, 795-802 |
| 1008276 | CIF | I3 S2 Sb Sn2 | C m c m | 4.25; 13.99; 16.38 90; 90; 90 | 973.9 | Ibanez, A; Jumas, J C; Olivier-Fourcade, J; Philippot, E Mise en evidence d'un desordre statistique dans les structures chalcogenoiodures d'etain et d'antimoine. Journal of Solid State Chemistry, 1984, 55, 833-913 |
| 1008277 | CIF | I3 S2 Sb Sn2 | C m c m | 4.275; 14.059; 16.465 90; 90; 90 | 989.6 | Ibanez, A; Jumas, J C; Olivier-Fourcade, J; Philippot, E Mise en evidence d'un desordre statistique dans les structures chalcogenoiodures d'etain et d'antimoine. Journal of Solid State Chemistry, 1984, 55, 83-91 |
| 1008278 | CIF | I3 Sb Se2 Sn2 | C m c m | 4.298; 14.085; 17.222 90; 90; 90 | 1042.6 | Ibanez, A; Jumas, J C; Olivier-Fourcade, J; Philippot, E Mise en evidence d'un desordre statistique dans les structures chalcogenoiodures d'etain et d'antimoine. Journal of Solid State Chemistry, 1984, 55, 83-91 |
| 1008279 | CIF | I5 Sb Se2 Sn3 | C 1 2/m 1 | 14.166; 4.342; 12.149 90; 96.03; 90 | 743.1 | Ibanez, A; Jumas, J C; Olivier-Fourcade, J; Philippot, E Mise en evidence d'un desordre statistique dans les structures chalcogenoiodures d'etain et d'antimoine. Journal of Solid State Chemistry, 1984, 55, 83-91 |
| 1008320 | CIF | B60 Fe60 Sm17 | P 42/n :2 | 7.098; 7.098; 58.69 90; 90; 90 | 2956.9 | Bezinge, A; Braun, H F; Muller, J; Yvon, K Tetragonal rare earth (R) iron borides, R(~1+x~) Fe~4~ B~4~ (x=0.1), with incommensurate rare earth and iron substructures Solid State Communications, 1985, 55, 131-135 |
| 1009025 | CIF | Hf0.4 O3 Pb Ti0.6 | P 4 m m | 3.999; 3.999; 4.12 90; 90; 90 | 65.9 | Muller, C; Baudour, J-L; Madigou, V; Bouree, F; Kiat, J-M; Favotto, C; Roubin, M Temperature-dependent neutron powder diffraction evidence for splitting of the cationic sites in the ferroelectric Pb Hf0.4 Ti0.6 O3 Acta Crystallographica B (39,1983-), 1999, 55, 8-16 |
| 1009026 | CIF | Hf0.4 O3 Pb Ti0.6 | P 4 m m | 4.012; 4.012; 4.1 90; 90; 90 | 66 | Muller, C; Baudour, J-L; Madigou, V; Bouree, F; Kiat, J-M; Favotto, C; Roubin, M Temperature-dependent neutron powder diffraction evidence for splitting of the cationic sites in the ferroelectric Pb Hf0.4 Ti0.6 O3 Acta Crystallographica B (39,1983-), 1999, 55, 8-16 |
| 1009027 | CIF | Hf0.4 O3 Pb Ti0.6 | P m -3 m | 4.046; 4.046; 4.046 90; 90; 90 | 66.2 | Muller, C; Baudour, J-L; Madigou, V; Bouree, F; Kiat, J-M; Favotto, C; Roubin, M Temperature-dependent neutron powder diffraction evidence for splitting of the cationic sites in the ferroelectric Pb Hf0.4 Ti0.6 O3 Acta Crystallographica B (39,1983-), 1999, 55, 8-16 |
| 1010093 | CIF | Ni O | F m -3 m | 4.1684; 4.1684; 4.1684 90; 90; 90 | 72.4 | Cairns, R W; Ott, E X-Ray Studies of the System Nickel-Oxygen-Water. I. Nickelous Oxide and Hydroxide Journal of the American Chemical Society, 1933, 55, 527-533 |
| 1011134 | CIF | H2 Ni O2 | P -3 m 1 | 3.114; 3.114; 4.617 90; 90; 120 | 38.8 | Cairns, R W; Ott, E X-ray studies of the system nickel-oxygen-water. I. Nickelous oxide and hydroxide Journal of the American Chemical Society, 1933, 55, 527-533 |
| 1100516 | CIF | C25 H32 N2 O2 | P 21 21 21 | 6.376; 18.155; 19.422 90; 90; 90 | 2248.22 | Aurich, Hans Günter; Soeberdt, Michael; Harms, Klaus Formation of enantiopure β-amino alcohols with a 3-oxa-2,7-diazabicyclo[3.3.0]octane framework Tetrahedron, 1999, 55, 1249-1270 |
| 1100517 | CIF | C22 H26 N2 O2 | P 21 21 21 | 7.515; 13.748; 18.678 90; 90; 90 | 1929.74 | Aurich, Hans Günter; Soeberdt, Michael; Harms, Klaus Formation of enantiopure β-amino alcohols with a 3-oxa-2,7-diazabicyclo[3.3.0]octane framework Tetrahedron, 1999, 55, 1249-1270 |
| 1100518 | CIF | C26 H28 N2 O2 | I 1 2 1 | 19.522; 5.321; 21.728 90; 102.53; 90 | 2203.27 | Aurich, Hans Günter; Soeberdt, Michael; Harms, Klaus Formation of enantiopure β-amino alcohols with a 3-oxa-2,7-diazabicyclo[3.3.0]octane framework Tetrahedron, 1999, 55, 1249-1270 |
| 1101087 | CIF | C36 H24 Cu F12 N6 P2 | C 1 2/c 1 | 54.836; 15.923; 12.299 90; 94.382; 90 | 10707.5 | José M. Seco; María J. González Garmendia; Miguel Quirós Journal of Coordination Chemistry, 2002, 55, 345-351 |
| 1502652 | CIF | C18 H36 Cd N42 O18 | P -1 | 10.3425; 10.3727; 11.9922 110.546; 104.412; 97.464 | 1132.8 | Li, Zhi-Min; Zhang, Jian-Guo; Cui, Yan; Zhang, Tong-Lai; Shu, Yuan-Jie; Sinditskii, Valery P.; Serushkin, Valery V.; Egorshin, Vyacheslav Yu. A Novel Nitrogen-Rich Cadmium Coordination Compound Based on 1,5-Diaminotetrazole: Synthesis, Structure Investigation, and Thermal Properties Journal of Chemical & Engineering Data, 2010, 55, 3109 |
| 1503454 | CIF | C25 H22 N2 O4 | P 1 21 1 | 6.2608; 27.9762; 11.5615 89.99; 90.002; 89.995 | 2025.04 | Zhang, Hankun; Tückmantel, Werner; Eaton, J. Brek; Yuen, Po-Wai; Yu, Li-Fang; Bajjuri, Krishna Mohan; Fedolak, Allison; Wang, Daguang; Ghavami, Afshin; Caldarone, Barbara; Paterson, Neil E.; Lowe, David A.; Brunner, Daniela; Lukas, Ronald J.; Kozikowski, Alan P. Chemistry and Behavioral Studies Identify Chiral Cyclopropanes as Selective α4β2-Nicotinic Acetylcholine Receptor Partial Agonists Exhibiting an Antidepressant Profile. Journal of medicinal chemistry, 2012, 55, 717-724 |
| 1503455 | CIF | C12 H16 Br N3 O2 S | P 1 21/c 1 | 10.18411; 14.96067; 9.13052 90; 99.2862; 90 | 1372.9 | Baud, Matthias G. J.; Leiser, Thomas; Haus, Patricia; Samlal, Sharon; Wong, Ai Ching; Wood, Robert J.; Petrucci, Vanessa; Gunaratnam, Mekala; Hughes, Siobhan M.; Buluwela, Lakjaya; Turlais, Fabrice; Neidle, Stephen; Meyer-Almes, Franz-Josef; White, Andrew J. P.; Fuchter, Matthew J. Defining the Mechanism of Action and Enzymatic Selectivity of Psammaplin A against Its Epigenetic Targets. Journal of medicinal chemistry, 2012, 55, 1731-1750 |
| 1507655 | CIF | C13 H15 Fe N O Se | C 1 2/c 1 | 17.983; 7.4102; 19.235 90; 93.649; 90 | 2558 | Gutiérrez-Hernández, Alejandro I; López-Cortés, José G; Ortega-Alfaro, M Carmen; Ramírez-Apan, M Teresa; Cázares-Marinero, José de Jesús; Toscano, Rubén A Ferrocenylselenoamides: synthesis, characterization and cytotoxic properties. Journal of medicinal chemistry, 2012, 55, 4652-4663 |
| 1507656 | CIF | C9 H11 N O Se | P 1 21/n 1 | 9.598; 8.166; 12.75 90; 103.19; 90 | 972.9 | Gutiérrez-Hernández, Alejandro I; López-Cortés, José G; Ortega-Alfaro, M Carmen; Ramírez-Apan, M Teresa; Cázares-Marinero, José de Jesús; Toscano, Rubén A Ferrocenylselenoamides: synthesis, characterization and cytotoxic properties. Journal of medicinal chemistry, 2012, 55, 4652-4663 |
| 1507788 | CIF | C10 H15 N3 O5 Pt | P c a 21 | 9.4898; 15.218; 8.9436 90; 90; 90 | 1291.6 | Wilson, Justin J.; Lippard, Stephen J. In Vitro Anticancer Activity of cis-Diammineplatinum(II) Complexes with β-Diketonate Leaving Group Ligands. Journal of medicinal chemistry, 2012, 55, 5326-5336 |
| 1507789 | CIF | C10 H12 F3 N3 O5 Pt | P 1 21/c 1 | 18.336; 7.1871; 10.8106 90; 100.556; 90 | 1400.5 | Wilson, Justin J.; Lippard, Stephen J. In Vitro Anticancer Activity of cis-Diammineplatinum(II) Complexes with β-Diketonate Leaving Group Ligands. Journal of medicinal chemistry, 2012, 55, 5326-5336 |
| 1508253 | CIF | C18 H27 F2 N O5 | C 1 2 1 | 13.6384; 7.1514; 19.5985 90; 101.048; 90 | 1876.09 | Yu, Wenquan; Gill, Tina; Wang, Lijuan; Du, Yanming; Ye, Hong; Qu, Xiaowang; Guo, Ju-Tao; Cuconati, Andrea; Zhao, Kang; Block, Timothy M.; Xu, Xiaodong; Chang, Jinhong Design, Synthesis, and Biological Evaluation of N-Alkylated Deoxynojirimycin (DNJ) Derivatives for the Treatment of Dengue Virus Infection. Journal of medicinal chemistry, 2012, 55, 6061-6075 |
| 1508515 | CIF | C10.5 H17 Cl2 N2 O4.5 Pt | P 1 21/c 1 | 13.66; 9.867; 23.937 90; 98.52; 90 | 3190.7 | Chin, Chee Fei; Tian, Quan; Setyawati, Magdiel Inggrid; Fang, Wanru; Tan, Emelyn Sue Qing; Leong, David Tai; Ang, Wee Han Tuning the activity of platinum(IV) anticancer complexes through asymmetric acylation. Journal of medicinal chemistry, 2012, 55, 7571-7582 |
| 1508516 | CIF | C22 H20 Cu N2 O2 | P -1 | 9.242; 10.288; 14.494 77.219; 84.291; 80.289 | 1321.9 | Tardito, Saverio; Barilli, Amelia; Bassanetti, Irene; Tegoni, Matteo; Bussolati, Ovidio; Franchi-Gazzola, Renata; Mucchino, Claudio; Marchi uciano Copper-dependent cytotoxicity of 8-hydroxyquinoline derivatives correlates with their hydrophobicity and does not require caspase activation. Journal of medicinal chemistry, 2012, 55, 10448-10459 |
| 1508517 | CIF | C23 H22 Fe N2 O2 | P 1 21/c 1 | 22.584; 7.59176; 10.5047 90; 92.039; 90 | 1799.91 | Patra, Malay; Ingram, Katrin; Pierroz, Vanessa; Ferrari, Stefano; Spingler, Bernhard; Keiser, Jennifer; Gasser, Gilles Ferrocenyl derivatives of the anthelmintic praziquantel: design, synthesis, and biological evaluation. Journal of medicinal chemistry, 2012, 55, 8790-8798 |
| 1508518 | CIF | C23 H24 Fe N2 O | P -1 | 7.455; 10.3389; 13.2992 72.296; 81.3454; 78.354 | 952.04 | Patra, Malay; Ingram, Katrin; Pierroz, Vanessa; Ferrari, Stefano; Spingler, Bernhard; Keiser, Jennifer; Gasser, Gilles Ferrocenyl derivatives of the anthelmintic praziquantel: design, synthesis, and biological evaluation. Journal of medicinal chemistry, 2012, 55, 8790-8798 |
| 1508519 | CIF | C25 H26 Fe N2 O2 | P c a 21 | 19.7267; 5.7377; 36.268 90; 90; 90 | 4105 | Patra, Malay; Ingram, Katrin; Pierroz, Vanessa; Ferrari, Stefano; Spingler, Bernhard; Keiser, Jennifer; Gasser, Gilles Ferrocenyl derivatives of the anthelmintic praziquantel: design, synthesis, and biological evaluation. Journal of medicinal chemistry, 2012, 55, 8790-8798 |
| 1508520 | CIF | C7 H17 Cl2 F3 N2 O4 Pt | P -1 | 6.1836; 8.0658; 15.5374 102.217; 92.75; 108.655 | 711.98 | Pichler, Verena; Heffeter, Petra; Valiahdi, Seied M.; Kowol, Christian R.; Egger, Alexander; Berger, Walter; Jakupec, Michael A.; Galanski, Markus; Keppler, Bernhard K. Unsymmetric Mono- and Dinuclear Platinum(IV) Complexes Featuring an Ethylene Glycol Moiety: Synthesis, Characterization, and Biological Activity. Journal of medicinal chemistry, 2012, 55, 11052-11061 |
| 1509392 | CIF | Ag I3 Rb2 | P n m a | 10.258; 4.886; 20.063 90; 90; 90 | 1005.57 | Brown, I.D.; Howard-Lock, H.E.; Natarajan-Iyer, M. The crystal structure and polarised Raman spectrum of Rb2 Ag I3 Canadian Journal of Chemistry, 1977, 55, 1511-1514 |
| 1510073 | CIF | Au Cd | P 3 1 m | 8.1047; 8.1047; 5.7974 90; 90; 120 | 329.79 | Schubert, K.; Alasafi, K.M. Kristallstruktur von Au Cd.r Journal of the Less-Common Metals, 1977, 55, 1-8 |
| 1510077 | CIF | Au0.25 Hg0.75 Mn | P m -3 m | 3.28; 3.28; 3.28 90; 90; 90 | 35.288 | Nakagawa, Y.; Hori, T. Cubic to orthorhombic transition and magnetic property of Mn Hg1-x Aux, (X=.05-.25) Journal of the Physical Society of Japan, 1986, 55, 4025-4029 |
| 1510087 | CIF | Au0.25 Hg0.75 Mn | P m m a | 4.71; 3.08; 4.81 90; 90; 90 | 69.778 | Nakagawa, Y.; Hori, T. Cubic to orthorhombic transition and magnetic property of Mn Hg1-x Aux, (X=.05-.25) Journal of the Physical Society of Japan, 1986, 55, 4025-4029 |
| 1511218 | CIF | B0.5 In Ni3.5 | P m -3 m | 3.773; 3.773; 3.773 90; 90; 90 | 53.711 | Stadelmaier, H.H.; Schoebel, J.D. Zwei Boride mit Chromkarbid - (Cr23 C6) - und Perowskitstruktur im Dreistoffsystem Nickel-Indium-Bor Zeitschrift fuer Metallkunde, 1964, 55, 378-382 |
| 1511514 | CIF | B4 Ru5 Sc2 | P 1 2/m 1 | 8.4859; 3.0001; 9.9833 90; 90.01; 90 | 254.16 | Rogl, P. The crystal structure of Sc2 Ru5 B4 Journal of Solid State Chemistry, 1984, 55, 262-269 |
| 1514099 | CIF | Mn O | F m -3 m | 4.446; 4.446; 4.446 90; 90; 90 | 87.88 | Sasaki, Satoshi; Fujino, Kiyoshi; Takéuchi, Yoshio X-Ray Determination of Electron-Density Distributions in Oxides, MgO, MnO, CoO, and NiO, and Atomic Scattering Factors of their Constituent Atoms Proceedings of the Japan Academy, Series B: Physical and Biological Sciences, 1979, 55, 43-48 |
| 1517787 | CIF | C21 H21 N O2 | P 1 21 1 | 9.2797; 7.6305; 12.3433 90; 96.185; 90 | 868.93 | Islam, Kobirul; Das, Deb K.; Khan, Abu T. Hydrated ferric sulfate catalyzed synthesis of 5,6-unsubstituted 1,4-dihydropyridines using three-component reaction Tetrahedron Letters, 2014, 55, 5613-5617 |
| 1517791 | CIF | C23 H27 N3 O7 | P 1 21/c 1 | 5.4515; 29.25; 14.0037 90; 99.689; 90 | 2201.1 | Terzidis, Michael A.; Tsiaras, Vassilios G.; Drosos, Nicolaos M.; Kasapidou, Paraskevi M.; Stephanidou-Stephanatou, Julia; Tsoleridis, Constantinos A.; Buth, Gernot; Kostakis, George E. Chromeno[2,3-c]pyrroles by one-pot multicomponent domino addition‒amination reaction Tetrahedron Letters, 2014, 55, 5601-5604 |
| 1522089 | CIF | Fe2 Y0.5 Zr0.5 | F d -3 m :1 | 7.2; 7.2; 7.2 90; 90; 90 | 373.248 | Kobayashi, K.I.; Kanematsu, K. Magnetic properties and crystal structure of Laves phase (Yx Zr1-x) Fe2 and their hydrides Journal of the Physical Society of Japan, 1986, 55, 1336-1340 |
| 1522416 | CIF | Nb Pd3 | I 4/m m m | 3.87; 3.87; 7.96 90; 90; 90 | 119.216 | Maldonado, A.; Schubert, K. Strukturuntersuchungen in einigen zu T(5)-T(10) homologen und quasihomologen Legierungssystemen Zeitschrift fuer Metallkunde, 1964, 55, 619-626 |
| 1522417 | CIF | Pt3 V | P m -3 m | 3.87; 3.87; 3.87 90; 90; 90 | 57.961 | Maldonado, A.; Schubert, K. Strukturuntersuchungen in einigen zu T(5)-T(10) homologen und quasihomologen Legierungssystemen Zeitschrift fuer Metallkunde, 1964, 55, 619-626 |
| 1522418 | CIF | Pt0.75 V0.25 | F m -3 m | 3.85; 3.85; 3.85 90; 90; 90 | 57.067 | Maldonado, A.; Schubert, K. Strukturuntersuchungen in einigen zu T(5)-T(10) homologen und quasihomologen Legierungssystemen Zeitschrift fuer Metallkunde, 1964, 55, 619-626 |
| 1522436 | CIF | Hf0.5 In0.5 Ni | P m -3 m | 3.127; 3.127; 3.127 90; 90; 90 | 30.576 | Marazza, R.; Rambaldi, G.; Ferro, R. Fasi intermetalliche ternarie, a rapporto stechiometrico 1:1:2, di struttura tipo Cs Cl o tipo Al Cu2 Mn Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti, Serie 8 (1, 1946-), 1973, 55, 518-521 |
| 1522437 | CIF | Hf0.5 In0.5 Pd | P m -3 m | 3.266; 3.266; 3.266 90; 90; 90 | 34.838 | Marazza, R.; Rambaldi, G.; Ferro, R. Fasi intermetalliche ternarie, a rapporto stechiometrico 1:1:2, di struttura tipo Cs Cl o tipo Al Cu2 Mn Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti, Serie 8 (1, 1946-), 1973, 55, 518-521 |
| 1522739 | CIF | Nb0.67 Pd0.33 | I m -3 m | 3.23; 3.23; 3.23 90; 90; 90 | 33.698 | Raman, A.; Schubert, K. Ueber die Verbreitung des Zr2 Cu-Typs und Cr2 Al-Typs Zeitschrift fuer Metallkunde, 1964, 55, 798-804 |
| 1522740 | CIF | Hf Ir3 | P m -3 m | 3.926; 3.926; 3.926 90; 90; 90 | 60.513 | Raman, A.; Schubert, K. Strukturuntersuchungen in einigen zu T(4)-T(9) homologen und quasihomologen Legierungssystemen Zeitschrift fuer Metallkunde, 1964, 55, 704-710 |
| 1522741 | CIF | Hf Pt | P m -3 m | 3.23; 3.23; 3.23 90; 90; 90 | 33.698 | Raman, A.; Schubert, K. Strukturuntersuchungen in einigen zu T(4)-T(9) homologen und quasihomologen Legierungssystemen Zeitschrift fuer Metallkunde, 1964, 55, 704-710 |
| 1522742 | CIF | Hf Rh | P m -3 m | 3.227; 3.227; 3.227 90; 90; 90 | 33.604 | Raman, A.; Schubert, K. Strukturuntersuchungen in einigen zu T(4)-T(9) homologen und quasihomologen Legierungssystemen Zeitschrift fuer Metallkunde, 1964, 55, 704-710 |
| 1522855 | CIF | Pb Pd9 Tl2 | I 4/m m m | 4.072; 4.072; 23.304 90; 90; 90 | 386.408 | Schubert, K.; Biswas, T.K.; Bhan, S.; Panday, P.K.; Frank, K. Einige Strukturdaten metallischer Phasen. 13. Mitteilung Naturwissenschaften, 1968, 55, 542-543 |
| 1522856 | CIF | Pd3 Tl | I 4/m m m | 4.146; 4.146; 7.497 90; 90; 90 | 128.868 | Schubert, K.; Bhan, S.; Biswas, T.K.; Frank, K.; Panday, P.K. Einige Strukturdaten metallischer Phasen, 13. Mitteilung Naturwissenschaften, 1968, 55, 542-543 |
| 1522857 | CIF | Pd13 Tl9 | P -3 m 1 | 8.958; 8.958; 5.623 90; 90; 120 | 390.77 | Schubert, K.; Panday, P.K.; Biswas, T.K.; Bhan, S.; Frank, K. Einige Strukturdaten metallischer Phasen, 13. Mitteilung Naturwissenschaften, 1968, 55, 542-543 |
| 1522858 | CIF | Pt3 Zr | P m -3 m | 3.99; 3.99; 3.99 90; 90; 90 | 63.521 | Schubert, K.; Bhan, S.; Biswas, T.K.; Frank, K.; Panday, P.K. Einige Strukturdaten metallischer Phasen, 13. Mitteilung Naturwissenschaften, 1968, 55, 542-543 |
| 1522859 | CIF | Ga Pt2 | P m m a | 16.42; 3.919; 5.473 90; 90; 90 | 352.187 | Schubert, K.; Biswas, T.K.; Bhan, S.; Panday, P.K.; Frank, K. Einige Strukturdaten metallischer Phasen. 13. Mitteilung Naturwissenschaften, 1968, 55, 542-543 |
| 1522936 | CIF | Gd Y | P 63/m m c | 3.6414; 3.6414; 5.76 90; 90; 120 | 66.144 | Spedding, F.H.; Valletta, R.M.; Daane, A.H. Some rare-earth alloy systems. I. La-Gd, La-Y, Gd-Y Transactions of the American Society for Metals, 1962, 55, 483-491 |
| 1523170 | CIF | Gd Mg0.5 Zn0.5 | P m -3 m | 3.689; 3.689; 3.689 90; 90; 90 | 50.203 | Adamyan, V.E.; Abovyan, E.S.; Melikyan, M.A.; Karagebakyan, G.G. Temperature dependences of magnetic susceptibility, magnetization and electrical resistivity in the system of solid solutions Gd Znx Mg1-x Fizika Metallov i Metallovedenie, 1983, 55, 1083-1087 |
| 1523369 | CIF | Pt Zr | P m -3 m | 3.31; 3.31; 3.31 90; 90; 90 | 36.265 | Carl, W.; Schubert, K. Strukturuntersuchungen in einigen zu T(4)-T(9) homologen und quasihomolgen Legierungssystemen Zeitschrift fuer Metallkunde, 1964, 55, 704-710 |
| 1523936 | CIF | Ga0.15 Nb0.85 | I m -3 m | 3.291; 3.291; 3.291 90; 90; 90 | 35.644 | Jorda, J.L.; Fluekiger, R.; Muller, J. On the formation and stability of the A15 phase in the niobium-gallium system Journal of the Less-Common Metals, 1977, 55, 249-264 |
| 1524204 | CIF | Fe0.5 Mn0.5 Pd3 | P m -3 m | 3.874; 3.874; 3.874 90; 90; 90 | 58.141 | Cherkashin, B.V.; Vereshchagin, Yu.A.; Kuranov, A.A.; Sidorenko, F.A. Atomic ordering in solid solutions Fizika Metallov i Metallovedenie, 1983, 55, 176-177 |
| 1524221 | CIF | Co5.5 Ho0.75 | P 6/m m m | 4.905; 4.905; 3.992 90; 90; 120 | 83.176 | Chuev, V.V.; Kelarev, V.V.; Sidorov, S.K.; Pirogov, A.N.; Koryakova, V.S. Crystal structure and magnetic state of pseudobinary intermetallic compounds Ho (Co1-x Hox)5 Fizika Metallov i Metallovedenie, 1983, 55, 80-89 |
| 1524222 | CIF | Co2.5 Ho Ni2.5 | P 6/m m m | 4.89; 4.89; 3.979 90; 90; 120 | 82.399 | Chuev, V.V.; Kelarev, V.V.; Koryakova, V.S.; Pirogov, A.N.; Sidorov, S.K. Crystal structure and magnetic state of pseudobinary intermetallic compounds Ho (Co1-x Hox)5 Fizika Metallov i Metallovedenie, 1983, 55, 510-519 |
| 1524269 | CIF | Cr0.7 Fe0.3 | I m -3 m | 2.872; 2.872; 2.872 90; 90; 90 | 23.689 | Dorofeev, Yu.A.; Men'shikov, A.Z.; Taksey, G.A. Magnetic phase diagram of Fex Cr1-x alloys Fizika Metallov i Metallovedenie, 1983, 55, 102-109 |
| 1524456 | CIF | N4 Si3 | P 63 | 7.595; 7.595; 2.9023 90; 90; 120 | 144.987 | Gruen, R. Neubestimmung der Struktur von beta Si3 N4 aus Einkristalldaten Fortschritte der Mineralogie, Beiheft, 1977, 55, 38-39 |
| 1524852 | CIF | Cu In0.5 Ti0.5 | P m -3 m | 3.111; 3.111; 3.111 90; 90; 90 | 30.109 | Marazza, R.; Rambaldi, G.; Ferro, R. Fasi intermetallichi ternarie, a rapporto stechiometrico 1:1:2 di struttura tipo Cs Cl et Al Cu2 Mn Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti, Serie 8 (1, 1946-), 1973, 55, 518-521 |
| 1524926 | CIF | Ce Pt Rh | F d -3 m :1 | 7.661; 7.661; 7.661 90; 90; 90 | 449.631 | Mihalisin, T.; Harrus, A.; Raaen, S.; Parks, R.D. L(III) absorption studies of the mixed valence systems Ce (Rh1-x Rux)2 and Ce (Pt1-y Pty)2 Journal of Applied Physics, 1984, 55, 1966-1968 |
| 1524927 | CIF | Ce Rh Ru | F d -3 m :1 | 7.539; 7.539; 7.539 90; 90; 90 | 428.491 | Mihalisin, T.; Parks, R.D.; Raaen, S.; Harrus, A. L(III) absorption studies of the mixed valence systems Ce (Rh1-x Rux)2 and Ce (Pt1-y Pty)2 Journal of Applied Physics, 1984, 55, 1966-1968 |
| 1524967 | CIF | Fe0.2 Gd Mn1.8 | F d -3 m :1 | 7.68; 7.68; 7.68 90; 90; 90 | 452.985 | Nagai, H.; Yoshie, H.; Oyama, N.; Ikami, Y.; Tsujimura, A. The magnetic properties of pseudo-binary compounds, Gd (Fe1-x Mnx)2 and Gd6 (Fe1-y Mny)23 Journal of the Physical Society of Japan, 1986, 55, 177-183 |
| 1525103 | CIF | Ce Fe Ni4 | P 6/m m m | 4.931; 4.931; 4.04 90; 90; 120 | 85.071 | Pourarian, F.; Wallace, W.E.; Pedziwiatr, A. Magnetic properties of R Ni4 Fe alloys (R= La, Ce or Y) Journal of Applied Physics, 1984, 55, 1981-1983 |
| 1527363 | CIF | H30 Mg7 Na12 O67 S13 | R -3 :R | 11.769; 11.769; 11.769 106.5; 106.5; 106.5 | 1375.67 | Fang, J.H.; Robinson, P.D. Crystal structures and mineral chemistry of double-salt hydrates: II. The crystal structure of Loeweite American Mineralogist, 1970, 55, 378-386 |
| 1528408 | CIF | Cd Cu2 S4 Si | P m n 21 | 7.6; 6.48; 6.25 90; 90; 90 | 307.8 | Chapuis, G.; Niggli, A. Die idealisierte Kristallstruktur von Cu2 Cd Si S4 Naturwissenschaften, 1968, 55, 441-442 |
| 1528707 | CIF | Ba15.9999 P10.6666 | I -4 3 d | 9.775; 9.775; 9.775 90; 90; 90 | 934.007 | Maass, K.E. Eigenschaften und Kristallstruktur des Bariumphosphids Ba3 P2 Naturwissenschaften, 1968, 55, 489-490 |
| 1528807 | CIF | F2 Hg3 S2 | I 21 3 | 8.14; 8.14; 8.14 90; 90; 90 | 539.353 | Puff, H.; Heine, D.; Lieck, G. Quecksilberschwefelfluoride Naturwissenschaften, 1968, 55, 298-298 |
| 1528895 | CIF | Ga Li5 O4 | P b c a | 9.173; 9.094; 9.202 90; 90; 90 | 767.624 | Stewner, F.; Hoppe, R. Ueber 'Kationen-reiche' Oxide. Zur Kenntnis von Li5 Ga O4 und Li5 Al O4 Naturwissenschaften, 1968, 55, 297-297 |
| 1528968 | CIF | H Mn2 O5 P | P 1 21/a 1 | 12.366; 13.276; 9.943 90; 108.23; 90 | 1550.42 | Waldrop, L. Crystal structure of triploidite Naturwissenschaften, 1968, 55, 296-297 |
| 1528969 | CIF | F Mn2 O4 P | I 1 2/c 1 | 12.065; 6.454; 9.937 90; 107.09; 90 | 739.603 | Waldrop, L. Crystal structure of triplite Naturwissenschaften, 1968, 55, 178-178 |
| 1529218 | CIF HKL | C8 H6 Ba N4 O6 S2 | P n m a | 6.87295; 16.66399; 11.85043 90; 90; 90 | 1357.24 | Golovnev, Nikolay; Molokeev, Maxim Crystal structures of two barium 2-thiobarbiturate complexes Journal of Structural Chemistry, 2014, 55, 871 |
| 1529219 | CIF HKL | C8 H16 Ba N4 O9 S2 | P -1 | 9.1339; 9.8527; 10.0198 103.674; 99.491; 101.683 | 836.3 | Golovnev, Nicolay; Molokeev, Maxim Crystal structures of two barium 2-thiobarbiturate complexes Journal of Structural Chemistry, 2014, 55, 871 |
| 1529225 | CIF | C4 H2 N2 O2 S Tl2 | P 1 21/n 1 | 15.10391; 12.80183; 3.864549 90; 97.2028; 90 | 741.34 | Golovnev, Nikolay; Molokeev, Maxim Crystal structure of catena-(2-thiobarbiturato) dithallium(I) Journal of Structural Chemistry, 2014, 55, 125 |
| 1529335 | CIF HKL | Dy8 Fe8.58 O56 Ti15.42 | P c n b | 9.84698; 13.57512; 7.36519 90; 90; 90 | 984.53 | T.V. Drokina; G.A. Petrakovskii; M.S. Molokeev; D.A. Velikanov; O.N. Pletnev; O.A. Bayukov Specific features of the crystal structure and magnetic properties of the DyFeTi2O7 compound Physics of the Solid State, 2013, 55, 2037-2042 |
| 1529336 | CIF HKL | F7 N2 Ta | P 4/n m m :2 | 5.89467; 5.89467; 10.68564 90; 90; 90 | 371.3 | E.I. Pogoreltsev; S.V. Melnikova; A.V. Kartashev; M.S. Molokeev; M.V. Gorev; I.N. Flerov; N.M. Laptash Ferroelastic phase transitions in (NH4)2TaF7 Physics of the Solid State, 2013, 55, 611-618 |
| 1529587 | CIF | Cl10.7 F4.3 Sb3 | P 1 21/n 1 | 12.359; 16.48; 9.387 90; 103.96; 90 | 1855.44 | Ballard, J.G.; Birchall, T.; Slim, D.R. The preparation and characterization of Sb3 Cl11 F4 Canadian Journal of Chemistry, 1977, 55, 743-748 |
| 1529681 | CIF | Cl3 H9 N3 Ru | P m n 21 | 9.933; 6.522; 5.475 90; 90; 90 | 354.687 | Bottomley, F. On the blue complexes of ruthenium. Part II. The structure of fac-trichlorotriammineruthenium(III) Canadian Journal of Chemistry, 1977, 55, 2788-2791 |
| 1529763 | CIF | C2 H10 Cl2 Hg N6 S2 | P b c n | 8.675; 8.123; 15.786 90; 90; 90 | 1112.39 | Chieh, C. Synthesis and structure of dichlorobis(thiosemicarbazide) Mercury(II) Canadian Journal of Chemistry, 1977, 55, 1583-1587 |
| 1529764 | CIF | C H5 Cl2 Hg N3 S | P 1 21/c 1 | 8.966; 6.817; 12.092 90; 100.3; 90 | 727.168 | Chieh, C.; Cowell, H. Synthesis and crystal structure of thiosemicarbazidedichloromercury(II) Canadian Journal of Chemistry, 1977, 55, 3898-3900 |
| 1530015 | CIF | Nb S2 | P -6 2 c | 3.35; 3.35; 17.94 90; 90; 120 | 174.358 | Graf, H.A.; Lerf, A.; Schoellhorn, R. A crystal structure investigation of the hydrated layered chalcogenides Kx (H2 O)y Nb S2 and Kx (H2 O)y Ta S2 Journal of the Less-Common Metals, 1977, 55, 213-220 |
| 1530016 | CIF | S2 Ta | P -6 2 c | 3.336; 3.336; 18.18 90; 90; 120 | 175.217 | Graf, H.A.; Schoellhorn, R.; Lerf, A. A crystal structure investigation of the hydrated layered chalcogenides Kx (H2 O)y Nb S2 and Kx (H2 O)y Ta S2 Journal of the Less-Common Metals, 1977, 55, 213-220 |
| 1530308 | CIF | As Dy O4 | I 41/a m d :1 | 7.063; 7.063; 6.304 90; 90; 90 | 314.481 | Long, F.G.; Stager, C.V. Low temperature crystal structure of Tb As O4 and Dy As O4 Canadian Journal of Physics, 1977, 55, 1633-1640 |
| 1530309 | CIF | As O4 Tb | I 41/a m d :1 | 7.105; 7.105; 6.336 90; 90; 90 | 319.848 | Long, F.G.; Stager, C.V. Low temperature crystal structure of Tb As O4 and Dy As O4 Canadian Journal of Physics, 1977, 55, 1633-1640 |
| 1530362 | CIF | P3 Pd7 | R 3 :H | 11.976; 11.976; 7.055 90; 90; 120 | 876.297 | Matkovic, T.; Schubert, K. Kristallstruktur von Pd7 P3 Journal of the Less-Common Metals, 1977, 55, 177-184 |
| 1530419 | CIF | O9 P3 V | I 1 c 1 | 10.615; 19.095; 9.432 90; 97.94; 90 | 1893.48 | Middlemiss, N.; Hawthorne, F.C.; Calvo, C. Crystal structure of vanadium(III)tris(metaphosphate) Canadian Journal of Chemistry, 1977, 55, 1673-1679 |
| 1530438 | CIF | Cr O5 Pb2 | C 1 2/m 1 | 14.018; 5.683; 7.143 90; 115.23; 90 | 514.758 | Morita, S.; Toda, K. Determination of the crystal structure of Pb2 Cr O5 Journal of Applied Physics, 1984, 55, 2733-2737 |
| 1530507 | CIF | Cl14 H18 Mo6 O8 | C 1 2/c 1 | 17.27; 9.17; 18.55 90; 98; 90 | 2909.1 | Okumura, Hajime; Taga, Tooru; Osaki, Kenji; Tsujikawa, Ikuji A Molybdenum polynuclear complex as small metallic particles Bulletin of the Chemical Society of Japan, 1982, 55, 307-308 |
| 1530593 | CIF | F3 Ho | P n m a | 6.404; 6.875; 4.379 90; 90; 90 | 192.796 | Piotrowski, M.; Ptasiewicz-Bak, H.; Murasik, A. The crystal structures of Ho F3 and Tb F3 by neutron diffraction Physica Status Solidi, Sectio A: Applied Research, 1979, 55, 163-166 |
| 1530594 | CIF | F3 Tb | P n m a | 6.513; 6.949; 4.384 90; 90; 90 | 198.415 | Piotrowski, M.; Ptasiewicz-Bak, H.; Murasik, A. The crystal structures of Ho F3 and Tb F3 by neutron diffraction Physica Status Solidi, Sectio A: Applied Research, 1979, 55, K163-K166 |
| 1533087 | CIF | Co O | F m -3 m | 4.263; 4.263; 4.263 90; 90; 90 | 77.472 | Sasaki, Satoshi; Fujino, Kiyoshi; Takéuchi, Yoshio X-Ray Determination of Electron-Density Distributions in Oxides, MgO, MnO, CoO, and NiO, and Atomic Scattering Factors of their Constituent Atoms Proceedings of the Japan Academy, Series B: Physical and Biological Sciences, 1979, 55, 43-48 |
| 1536455 | CIF | As I3 S24 | R 3 m :H | 24.739; 24.739; 4.412 90; 90; 120 | 2338.46 | Kelly, J.F.; Krausz, E.; Samoc, A.; Samoc, M.; Willis, A.C. Crystal structure of the second order nonlinear optical addition complex, (As I3) * 3(S8) Australian Journal of Chemistry, 2002, 55, 709-714 |
| 1537670 | CIF | D2 Pr | F m -3 m | 5.491; 5.491; 5.491 90; 90; 90 | 165.56 | Arons, R.R.; Cable, J.W. Magnetic order of Pr D1.95 and Ce D1.95 Solid State Communications, 1985, 55, 835-838 |
| 1537728 | CIF | Ho Ni5 | P 6/m m m | 4.867; 4.867; 3.966 90; 90; 120 | 81.359 | Chuev, V.V.; Kelarev, V.V.; Pirogov, A.N.; Sidorov, S.K.; Koryakova, V.S. Crystal structure and magnetic state of pseudobinary intermetallic compounds Ho (Co1-x Hox)5 Physics of Metals and Metallography, 1983, 55, 80-89 |
| 1538050 | CIF | Mn Pt | P 4/m m m | 3.855; 3.855; 3.712 90; 90; 90 | 55.164 | Gasnikova, G.P.; Dorofeev, Yu.A.; Sidorov, S.K.; Men'shikov, A.Z. Magnetic phase transitions in ordered (Fe1-x Mnx) Pt alloys Physics of Metals and Metallography, 1983, 55, 86-91 |
| 1538185 | CIF | Mn Sb | P 63/m m c | 4.149; 4.149; 5.771 90; 90; 120 | 86.034 | Grazhdankina, N.P.; Medvedeva, I.V. Influence of high pressure on the magnetic properties of alloys Mn1-x Crx Sb Physics of Metals and Metallography, 1983, 55, 83-88 |
| 1538300 | CIF | La4 Pb Sb2 | I -4 3 d | 9.707; 9.707; 9.707 90; 90; 90 | 914.65 | Hulliger, F.; Ott, H.R. Superconductivity of lanthanum pnictides Journal of the Less-Common Metals, 1977, 55, 103-113 |
| 1538301 | CIF | La4 Sb2 Sn | I -4 3 d | 9.686; 9.686; 9.686 90; 90; 90 | 908.727 | Hulliger, F.; Ott, H.R. Superconductivity of lanthanum pnictides Journal of the Less-Common Metals, 1977, 55, 103-113 |
| 1538302 | CIF | La3 Sb3 Y | I -4 3 d | 9.553; 9.553; 9.553 90; 90; 90 | 871.805 | Hulliger, F.; Ott, H.R. Superconductivity of lanthanum pnictides Journal of the Less-Common Metals, 1977, 55, 103-113 |
| 1538637 | CIF | Li2 Pd | P 6/m m m | 4.222; 4.222; 2.724 90; 90; 120 | 42.051 | Loebich, O.; Raub, C.J. Das Zustandsdiagramm Lithium-Palladium und die magnetischen Eigenschaften der Li-Pd-Legierungen Journal of the Less-Common Metals, 1977, 55, 67-76 |
| 1538690 | CIF | Pt V | P 4/m m m | 3.81; 3.81; 3.88 90; 90; 90 | 56.322 | Maldonado, A.; Schubert, K. Strukturuntersuchungen in einigen zu T(5)-T(10) homologen und quasihomologen Legierungssystemen Zeitschrift fuer Metallkunde, 1964, 55, 619-626 |
| 1538693 | CIF | Mo Pt2 | I m m m | 2.748; 8.238; 3.915 90; 90; 90 | 88.628 | Maldonado, A.; Schubert, K. Strukturuntersuchungen in einigen zu T(5)-T(10) homologen und quasihomologen Legierungssystemen Zeitschrift fuer Metallkunde, 1964, 55, 619-626 |
| 1538979 | CIF | Ir3 Ti | P m -3 m | 3.858; 3.858; 3.858 90; 90; 90 | 57.423 | Raman, A.; Schubert, K. Strukturuntersuchungen in einigen zu T(4)-T(9) homologen und quasihomologen Legierungssystemen Zeitschrift fuer Metallkunde, 1964, 55, 704-710 |
| 1538981 | CIF | Ir2 Zr | F d -3 m :1 | 7.346; 7.346; 7.346 90; 90; 90 | 396.417 | Raman, A.; Schubert, K. Strukturuntersuchungen in einigen zu T(4)-T(9) homologen und quasihomologen Legierungssystemen Zeitschrift fuer Metallkunde, 1964, 55, 704-710 |
| 1539008 | CIF | Mn2 U | F d -3 m :1 | 7.17; 7.17; 7.17 90; 90; 90 | 368.602 | Petzow, G.; Steeb, S. Das quasibinaere System U Mn2 - U Al2 Zeitschrift fuer Metallkunde, 1964, 55, 456-459 |
| 1539017 | CIF | Pt Rh | F m -3 m | 3.862; 3.862; 3.862 90; 90; 90 | 57.602 | Raub, E.; Falkenburg, G. Das System Gold-Platin-Rhodium und die binaeren Randsysteme Zeitschrift fuer Metallkunde, 1964, 55, 392-397 |
| 1539019 | CIF | Ir2.4 Ru1.6 | F m -3 m | 3.821; 3.821; 3.821 90; 90; 90 | 55.787 | Raub, E. Die Ruthenium-Iridium Legierungen Zeitschrift fuer Metallkunde, 1964, 55, 316-319 |
| 1539285 | CIF | Pd3 Tl | I 4/m m m | 2.932; 2.932; 7.497 90; 90; 90 | 64.449 | Schubert, K.; Bhan, S.; Biswas, T.; Panday, P.K.; Frank, K. Einige Strukturdaten metallischer Phasen, 13. Mitteilung Naturwissenschaften, 1968, 55, 542-543 |
| 1540314 | CIF | Li Pd | P -6 m 2 | 2.767; 2.767; 4.149 90; 90; 120 | 27.51 | Loebich, O.; Raub, C.J. Das Zustandsdiagramm Lithium-Palladium und die magnetischen Eigenschaften der Li-Pd-Legierungen Journal of the Less-Common Metals, 1977, 55, 67-76 |
| 1540735 | CIF | C14 H12 N2 O4 | P n a 21 | 10.2721; 12.99; 9.383 90; 90; 90 | 1252 | Piechowicz, Marek; Abney, Carter W.; Zhou, Xin; Thacker, Nathan C.; Li, Zhong; Lin, Wenbin Design, Synthesis, and Characterization of a Bifunctional Chelator with Ultrahigh Capacity for Uranium Uptake from Seawater Simulant Industrial & Engineering Chemistry Research, 2016, 55, 4170 |
| 1542338 | CIF HKL | C414 H324 | P -1 | 21.4238; 24.3862; 32.254 78.729; 76.442; 69.579 | 15231.9 | Daniel Beaudoin; Olivier Levasseur-Grenon; Thierry Maris; James D. Wuest Building Giant Carbocycles by Reversible C-C Bond Formation Angew. Chem. Int. Ed., 2016, 55, 894-898 |
| 1542339 | CIF HKL | C340 H338 | C 1 2/c 1 | 40.4249; 19.5832; 34.5941 90; 104.404; 90 | 26525.6 | Daniel Beaudoin; Olivier Levasseur-Grenon; Thierry Maris; James D. Wuest Building Giant Carbocycles by Reversible C-C Bond Formation Angew. Chem. Int. Ed., 2016, 55, 894-898 |
| 1542340 | CIF HKL | C388 H398 | P -1 | 19.769; 20.688; 21.451 99.349; 97.218; 114.704 | 7678.8 | Daniel Beaudoin; Olivier Levasseur-Grenon; Thierry Maris; James D. Wuest Building Giant Carbocycles by Reversible C-C Bond Formation Angew. Chem. Int. Ed., 2016, 55, 894-898 |
| 1548482 | CIF | C24 H26 F3 N3 O2 S | P 31 | 18.8083; 18.8083; 5.8941 90; 90; 120 | 1805.71 | Jeffrey A. Boerth; Joshua R. Hummel; Jonathan A. Ellman Highly Stereoselective Co(III)-Catalyzed Three-Component C-H Bond Addition Cascade Angewandte Chemie International Edition Engl., 2016, 55, 12650-12654 |
| 1548483 | CIF | C21 H28 N2 O2 | P 1 21/n 1 | 6.10754; 15.2412; 20.5393 90; 95.0631; 90 | 1904.47 | Jeffrey A. Boerth; Joshua R. Hummel; Jonathan A. Ellman Highly Stereoselective Co(III)-Catalyzed Three-Component C-H Bond Addition Cascade Angewandte Chemie International Edition Engl., 2016, 55, 12650-12654 |
| 1550805 | CIF | C24 H18 N2 O2 | P 1 21/c 1 | 7.6952; 12.1964; 19.5655 90; 97.259; 90 | 1821.6 | Bete, Sarah C.; Würtele, Christian; Otte, Matthias A bio-inspired imidazole-functionalised copper cage complex Chemical Communications, 2019, 55, 4427-4430 |
| 1550806 | CIF | C110 H128 Cu F6 N12 O2 Sb | P -1 | 15.9483; 18.9098; 20.1274 93.485; 110.627; 109.075 | 5261.7 | Bete, Sarah C.; Würtele, Christian; Otte, Matthias A bio-inspired imidazole-functionalised copper cage complex Chemical Communications, 2019, 55, 4427-4430 |
| 1550836 | CIF | C27 H22 N2 O2 S | P 1 21/n 1 | 6.8651; 19.3795; 18.327 90; 99.218; 90 | 2406.8 | Sinha, Sanghamitra; Chowdhury, Bijit; Ghorai, Uttam Kumar; Ghosh, Pradyut Multitasking behaviour of a small organic compound: solid state bright white-light emission, mechanochromism and ratiometric sensing of Al( <scp>iii</scp> ) and pyrophosphate Chemical Communications, 2019, 55, 5127-5130 |
| 1551245 | CIF | C38 H59 Cl Hf N2 O4 | P 1 21/c 1 | 15.7324; 13.8338; 19.0436 90; 110.691; 90 | 3877.3 | Lalrempuia, Ralte; Underhaug, Jarl; Törnroos, Karl W.; Le Roux, Erwan Anionic hafnium species: an active catalytic intermediate for the coupling of epoxides with CO <sub>2</sub> ? Chemical Communications, 2019, 55, 7227-7230 |
| 1551246 | CIF | C75 H90 Cl3 Hf N3 O4 P2 | P -1 | 15.031; 15.1732; 20.3432 109.719; 93.383; 116.05 | 3804.3 | Lalrempuia, Ralte; Underhaug, Jarl; Törnroos, Karl W.; Le Roux, Erwan Anionic hafnium species: an active catalytic intermediate for the coupling of epoxides with CO <sub>2</sub> ? Chemical Communications, 2019, 55, 7227-7230 |
| 1551247 | CIF | C39 H62 Cl2 Hf N2 O4 | P 1 21/c 1 | 16.5953; 14.0285; 17.4961 90; 96.24; 90 | 4049.1 | Lalrempuia, Ralte; Underhaug, Jarl; Törnroos, Karl W.; Le Roux, Erwan Anionic hafnium species: an active catalytic intermediate for the coupling of epoxides with CO <sub>2</sub> ? Chemical Communications, 2019, 55, 7227-7230 |
| 1551248 | CIF | C18.5 H25.5 N2.5 O9.5 Zn2 | P 21 21 21 | 10.3034; 11.7652; 20.357 90; 90; 90 | 2467.7 | Slater, Benjamin; Wong, So-On; Duckworth, Andrew; White, Andrew J. P.; Hill, Matthew R.; Ladewig, Bradley P. Upcycling a plastic cup: one-pot synthesis of lactate containing metal organic frameworks from polylactic acid Chemical Communications, 2019, 55, 7319-7322 |
| 1552124 | CIF | C24 H14 Co F12 N2 O4 S4 | P -1 | 8.4591; 8.6474; 10.5245 100.022; 98.821; 92.677 | 747.01 | Leckie, Dominique; Stephaniuk, Nadia T.; Arauzo, Ana; Campo, Javier; Rawson, Jeremy M. Exploring through-bond and through-space magnetic communication in 1,3,2-dithiazolyl radical complexes Chemical Communications, 2019, 55, 9849-9852 |
| 1552125 | CIF | C24 H14 F12 N2 O4 S4 Zn | P -1 | 8.4587; 8.5811; 10.6424 99.8; 97.782; 91.947 | 752.91 | Leckie, Dominique; Stephaniuk, Nadia T.; Arauzo, Ana; Campo, Javier; Rawson, Jeremy M. Exploring through-bond and through-space magnetic communication in 1,3,2-dithiazolyl radical complexes Chemical Communications, 2019, 55, 9849-9852 |
| 1552126 | CIF | C24 H14 F12 Mn N2 O4 S4 | R -3 :H | 28.857; 28.857; 10.4312 90; 90; 120 | 7522.6 | Leckie, Dominique; Stephaniuk, Nadia T.; Arauzo, Ana; Campo, Javier; Rawson, Jeremy M. Exploring through-bond and through-space magnetic communication in 1,3,2-dithiazolyl radical complexes Chemical Communications, 2019, 55, 9849-9852 |
| 1566637 | CIF | D2 O | R -3 :R | 7.78; 7.78; 7.78 113.1; 113.1; 113.1 | 304 | Kamb, B.; Hamilton, W.C.; LaPlaca, S.J.; Prakash, A. Ordered Proton Configuration in Ice II, from Single - Crystal Neutron Diffraction The Journal of Chemical Physics, 1971, 55, 1934 |
| 1568677 | CIF | C4 H14 Cd Cl4 N2 | P 1 21/a 1 | 7.344; 7.485; 10.775 90; 91.06; 90 | 592.2 | El Mostafa Khechoubi; A. Bendani; N Guyen Ba Chanh; Christian Courseille; Robert Duplessix; Michel Couzi Thermal conformational changes in a bidimensional molecular composite material: A thermodynamic and crystallographic study of NH3-(CH2)4-NH3 CdCl4 Journal of Physics and Chemistry of Solids, 1994, 55, 1277-1288 |
| 1568678 | CIF | C4 H14 Cd Cl4 N2 | P m a n | 7.377; 7.538; 10.6 90; 90; 90 | 589.4 | El Mostafa Khechoubi; A. Bendani; N Guyen Ba Chanh; Christian Courseille; Robert Duplessix; Michel Couzi Thermal conformational changes in a bidimensional molecular composite material: A thermodynamic and crystallographic study of NH3-(CH2)4-NH3 CdCl4 Journal of Physics and Chemistry of Solids, 1994, 55, 1277-1288 |
| 1568679 | CIF | C4 H14 Cd Cl4 N2 | P 1 21/a 1 | 7.657; 7.585; 9.541 90; 101.56; 90 | 542.89 | El Mostafa Khechoubi; A. Bendani; N Guyen Ba Chanh; Christian Courseille; Robert Duplessix; Michel Couzi Thermal conformational changes in a bidimensional molecular composite material: A thermodynamic and crystallographic study of NH3-(CH2)4-NH3 CdCl4 Journal of Physics and Chemistry of Solids, 1994, 55, 1277-1288 |
| 1570600 | CIF | Cl O10 P3 Sr3 | P n m a | 10.617; 10.736; 8.7354 90; 90; 90 | 995.7 | Gao, Jianhua; Liu, Xi; Song, Limei; Sha, Xunshan; Zhao, Pan; Guo, Ping Synthesis and structure of a new halophosphate Sr 3 P 3 O 10 Cl with the flexible [P 3 O 10 ] 5− anions Solid State Sciences, 2016, 55, 159-163 |
| 2000053 | CIF | C20 H29 Cl N2 O2 Pd | P 31 2 1 | 10.734; 10.734; 35.245 90; 90; 120 | 3516.83 | Bouquillon, S.; du Moulinet d'Hardemare, A.; Averbuch-Pouchot, M.-T.; Hénin, F.; Muzart, J.; Durif, A. A coordination compound of (‒)-ephedrine and palladium(II) Acta Crystallographica, Section C: Crystal Structure Communications, 1999, 55, 2028-2030 |
| 2000070 | CIF | C18 H16 O S | P 1 21/n 1 | 14.149; 12.76; 16.754 90; 107.68; 90 | 2881.92 | Minassian, F.; Pelloux-Léon, N.; Durif, A.; Vallée, Y. 12-Formyl-9,10-dimethyl-9,10-dihydro-11-thia-9,10-ethanoanthracene Acta Crystallographica, Section C: Crystal Structure Communications, 1999, 55, 781-783 |
| 2002906 | CIF Paper | C6 H17 I3 N2 O11 | P 1 21 1 | 8.36; 6.33; 14.75 90; 92.86; 90 | 779.6 | A. M. Petrosyan; R. P. Sukiasyan; S. S. Terzyan; V. M. Burbelo Interaction of lysine with iodic acid Acta Crystallographica Section B, 1999, 55, 221-225 |
| 2002915 | CIF HKL Paper | C13 H19 N O5 | P 21 21 21 | 7.235; 13.056; 14.415 90; 90; 90 | 1361.6 | Slimane Dahaoui; Christian Jelsch; Judith A. K. Howard; Claude Lecomte Charge density study of <i>N</i>-acetyl-<small>L</small>-tyrosine ethyl ester monohydrate derived from CCD area detector data Acta Crystallographica Section B, 1999, 55, 226-230 |
| 2002916 | CIF HKL Paper | C13 H19 N O5 | P 21 21 21 | 7.3827; 13.1421; 14.515 90; 90; 90 | 1408.31 | Slimane Dahaoui; Christian Jelsch; Judith A. K. Howard; Claude Lecomte Charge density study of <i>N</i>-acetyl-<small>L</small>-tyrosine ethyl ester monohydrate derived from CCD area detector data Acta Crystallographica Section B, 1999, 55, 226-230 |
| 2002917 | CIF Paper | C7 H11 N5 O2 | P 1 21/n 1 | 7.4889; 17.273; 7.4073 90; 111.937; 90 | 888.8 | Chernyshev, Vladimir V.; Fitch, Andrew N.; Sonneveld, Eduard J.; Kurbakov, Alexander I.; Makarov, Vadim A.; Tafeenko, Victor A. Crystal and molecular structures of 2-[1-(2-aminoethyl)-2-imidazolidinylidene]-2-nitroacetonitrile (C~7~H~11~N~5~O~2~) and 2,6-diamino-5-hydroxy-3-nitro-4<i>H</i>-pyrazolo[1,5-<i>a</i>]pyrimidin-7-one monohydrate (C~6~H~6~N~6~O~4~·H~2~O) from X-ray, synchrotron and neutron powder diffraction data Acta Crystallographica Section B, 1999, 55, 554-562 |
| 2002918 | CIF Paper | C6 H8 N6 O5 | P 1 21/n 1 | 17.576; 10.9; 4.6738 90; 92.867; 90 | 894.3 | Chernyshev, Vladimir V.; Fitch, Andrew N.; Sonneveld, Eduard J.; Kurbakov, Alexander I.; Makarov, Vadim A.; Tafeenko, Victor A. Crystal and molecular structures of 2-[1-(2-aminoethyl)-2-imidazolidinylidene]-2-nitroacetonitrile (C~7~H~11~N~5~O~2~) and 2,6-diamino-5-hydroxy-3-nitro-4<i>H</i>-pyrazolo[1,5-<i>a</i>]pyrimidin-7-one monohydrate (C~6~H~6~N~6~O~4~·H~2~O) from X-ray, synchrotron and neutron powder diffraction data Acta Crystallographica Section B, 1999, 55, 554-562 |
| 2002925 | CIF HKL Paper | Be F4 H8 N2 | P n m a | 7.531; 5.874; 10.399 90; 90; 90 | 460 | Srivastava, R. C.; Klooster, W. T.; Koetzle, T. F. Neutron structures of ammonium tetrafluoroberyllate Acta Crystallographica Section B, 1999, 55, 17-23 |
| 2002926 | CIF HKL Paper | Be F4 H8 N2 | P n a 21 | 15.017; 5.876; 10.418 90; 90; 90 | 919.3 | Srivastava, R. C.; Klooster, W. T.; Koetzle, T. F. Neutron structures of ammonium tetrafluoroberyllate Acta Crystallographica Section B, 1999, 55, 17-23 |
| 2002927 | CIF HKL Paper | Be F4 H8 N2 | P n a 21 | 14.997; 5.86; 10.402 90; 90; 90 | 914.2 | Srivastava, R. C.; Klooster, W. T.; Koetzle, T. F. Neutron structures of ammonium tetrafluoroberyllate Acta Crystallographica Section B, 1999, 55, 17-23 |
| 2002928 | CIF Paper | C12 H12 | P b c a | 7.4544; 6.0826; 20.0946 90; 90; 90 | 911.13 | Kaduk, J.A.; Golab, J.T. Structures of 2,6-disubstituted naphthalenes Acta Crystallographica Section B, 1999, 55, 85-94 |
| 2002929 | CIF Paper | C12 H8 O4 | P -1 | 3.7061; 7.4688; 8.535 86.62; 85.49; 87.99 | 235 | Kaduk, J.A.; Golab, J.T. Structures of 2,6-disubstituted naphthalenes Acta Crystallographica Section B, 1999, 55, 85-94 |
| 2002930 | CIF Paper | C14 H12 O4 | P 1 21/c 1 | 13.41931; 6.14869; 7.15257 90; 100.4; 90 | 580.471 | Kaduk, J.A.; Golab, J.T. Structures of 2,6-disubstituted naphthalenes Acta Crystallographica Section B, 1999, 55, 85-94 |
| 2002932 | CIF HKL Paper | C6 H2 Cl2 N2 O2 | C 1 2/c 1 | 11.397; 8.871; 7.222 90; 95.12; 90 | 727.3 | Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Gougoutas, J. Z. Packing similarities of three isosteric molecules: 4,5-dichlorophthalic anhydride, 4,5-dibromophthalic anhydride and 5,6-dichlorobenzfurazan 1-oxide, including three polymorphs of 5,6-dichlorobenzfurazan 1-oxide Acta Crystallographica Section B, 1999, 55, 530-542 |
| 2002933 | CIF HKL Paper | C6 H2 Cl2 N2 O2 | C 1 2/c 1 | 11.554; 8.926; 7.31 90; 96.1; 90 | 749.6 | Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Gougoutas, J. Z. Packing similarities of three isosteric molecules: 4,5-dichlorophthalic anhydride, 4,5-dibromophthalic anhydride and 5,6-dichlorobenzfurazan 1-oxide, including three polymorphs of 5,6-dichlorobenzfurazan 1-oxide Acta Crystallographica Section B, 1999, 55, 530-542 |
| 2002934 | CIF HKL Paper | C6 H2 Cl2 N2 O2 | P 1 21/n 1 | 7.0679; 11.7502; 9.0114 90; 98.563; 90 | 740.05 | Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Gougoutas, J. Z. Packing similarities of three isosteric molecules: 4,5-dichlorophthalic anhydride, 4,5-dibromophthalic anhydride and 5,6-dichlorobenzfurazan 1-oxide, including three polymorphs of 5,6-dichlorobenzfurazan 1-oxide Acta Crystallographica Section B, 1999, 55, 530-542 |
| 2002935 | CIF HKL Paper | C6 H2 Cl2 N2 O2 | P 1 21/n 1 | 7.1739; 11.8351; 9.0639 90; 98.35; 90 | 761.4 | Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Gougoutas, J. Z. Packing similarities of three isosteric molecules: 4,5-dichlorophthalic anhydride, 4,5-dibromophthalic anhydride and 5,6-dichlorobenzfurazan 1-oxide, including three polymorphs of 5,6-dichlorobenzfurazan 1-oxide Acta Crystallographica Section B, 1999, 55, 530-542 |
| 2002936 | CIF HKL Paper | C6 H2 Cl2 N2 O2 | C 1 2/c 1 | 7.2233; 9.0549; 11.57 90; 95.315; 90 | 753.5 | Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Gougoutas, J. Z. Packing similarities of three isosteric molecules: 4,5-dichlorophthalic anhydride, 4,5-dibromophthalic anhydride and 5,6-dichlorobenzfurazan 1-oxide, including three polymorphs of 5,6-dichlorobenzfurazan 1-oxide Acta Crystallographica Section B, 1999, 55, 530-542 |
| 2002937 | CIF HKL Paper | C6 H2 Cl2 N2 O2 | C 1 2/c 1 | 7.293; 9.061; 11.618 90; 96.12; 90 | 763.4 | Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Gougoutas, J. Z. Packing similarities of three isosteric molecules: 4,5-dichlorophthalic anhydride, 4,5-dibromophthalic anhydride and 5,6-dichlorobenzfurazan 1-oxide, including three polymorphs of 5,6-dichlorobenzfurazan 1-oxide Acta Crystallographica Section B, 1999, 55, 530-542 |
| 2002938 | CIF HKL Paper | C8 H2 Cl2 O3 | C 1 2/c 1 | 11.987; 8.994; 7.423 90; 92.91; 90 | 799.2 | Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Gougoutas, J. Z. Packing similarities of three isosteric molecules: 4,5-dichlorophthalic anhydride, 4,5-dibromophthalic anhydride and 5,6-dichlorobenzfurazan 1-oxide, including three polymorphs of 5,6-dichlorobenzfurazan 1-oxide Acta Crystallographica Section B, 1999, 55, 530-542 |
| 2002939 | CIF Paper | C8 H2 Br2 O3 | C -1 | 12.923; 9.209; 7.628 105.08; 99.2; 81.29 | 859.5 | Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Gougoutas, J. Z. Packing similarities of three isosteric molecules: 4,5-dichlorophthalic anhydride, 4,5-dibromophthalic anhydride and 5,6-dichlorobenzfurazan 1-oxide, including three polymorphs of 5,6-dichlorobenzfurazan 1-oxide Acta Crystallographica Section B, 1999, 55, 530-542 |
| 2002940 | CIF Paper | C12 H7 K O3 S | P b c a | 10.76; 7.74; 27.145 90; 90; 90 | 2260.7 | Craven, B. M.; Ballas, F. L. Thermal vibrations in potassium 3-benzoyl-2-thiophenecarboxylate Acta Crystallographica Section B, 1999, 55, 375-379 |
| 2002942 | CIF Paper | Na Nb O3 | C m c m | 7.85758; 7.86793; 7.8765 90; 90; 90 | 486.948 | Darlington, C. N. W.; Knight, K. S. High-temperature phases of NaNbO~3~ and NaTaO~3~ Acta Crystallographica Section B, 1999, 55, 24-30 |
| 2002943 | CIF Paper | Na O3 Ta | C m c m | 7.83729; 7.84887; 7.85728 90; 90; 90 | 483.332 | Darlington, C. N. W.; Knight, K. S. High-temperature phases of NaNbO~3~ and NaTaO~3~ Acta Crystallographica Section B, 1999, 55, 24-30 |
| 2002944 | CIF Paper | Na Nb O3 | P 4/m b m | 5.56896; 5.56896; 3.94408 90; 90; 90 | 122.319 | Darlington, C. N. W.; Knight, K. S. High-temperature phases of NaNbO~3~ and NaTaO~3~ Acta Crystallographica Section B, 1999, 55, 24-30 |
| 2002945 | CIF Paper | Na O3 Ta | P 4/m b m | 5.55465; 5.55465; 3.93426 90; 90; 90 | 121.388 | Darlington, C. N. W.; Knight, K. S. High-temperature phases of NaNbO~3~ and NaTaO~3~ Acta Crystallographica Section B, 1999, 55, 24-30 |
| 2002946 | CIF Paper | C5 H8 N2 | P -1 | 14.417; 12.02; 12.042 119.99; 105.991; 87.224 | 1727.4 | Infantes, L.; Foces-Foces, C.; Elguero,J. 3(5),4-Dimethyl- and 3,4,5-trimethylpyrazole at 200K. X-ray crystallography and quantum-chemical analysis Acta Crystallographica Section B, 1999, 55, 441-447 |
| 2002947 | CIF HKL Paper | C6 H10 N2 | I 1 2/a 1 | 14.1911; 8.252; 16.7382 90; 90.696; 90 | 1960 | Infantes, L.; Foces-Foces, C.; Elguero,J. 3(5),4-Dimethyl- and 3,4,5-trimethylpyrazole at 200K. X-ray crystallography and quantum-chemical analysis Acta Crystallographica Section B, 1999, 55, 441-447 |
| 2002948 | CIF | O8 W2 Zr | P 21 3 | 9.179989; 9.179989; 9.179989 90; 90; 90 | 773.6 | Evans, J. S. O.; David, W. I. F.; Sleight, A. W. Structural investigation of the negative-thermal-expansion material ZrW~2~O~8~ Acta Crystallographica, Section B, 1999, 55, 333-340 |
| 2002949 | CIF Paper | Co0.2 H2 Na O5 P Zn0.8 | P 65 2 2 | 10.464; 10.464; 15.056 90; 90; 120 | 1427.7 | Madeleine Helliwell Determination of the site of incorporation of cobalt in CoZnPO-CZP by multiple-wavelength anomalous-dispersion crystallography Acta Crystallographica Section B, 1999, 55, 327-332 |
| 2002953 | CIF Paper | Co1.26 Fe2.74 La0.743 Sb12 | I m -3 | 9.0971; 9.0971; 9.0971 90; 90; 90 | 752.85 | Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior Acta Crystallographica Section B, 1999, 55, 341-347 |
| 2002954 | CIF Paper | Co1.26 Fe2.74 La0.743 Sb12 | I m -3 | 9.0854; 9.0854; 9.0854 90; 90; 90 | 749.95 | Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior Acta Crystallographica Section B, 1999, 55, 341-347 |
| 2002955 | CIF Paper | Co1.26 Fe2.74 La0.743 Sb12 | I m -3 | 9.0857; 9.0857; 9.0857 90; 90; 90 | 750.02 | Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior Acta Crystallographica Section B, 1999, 55, 341-347 |
| 2002956 | CIF Paper | Co1.26 Fe2.74 La0.743 Sb12 | I m -3 | 9.0813; 9.0813; 9.0813 90; 90; 90 | 748.93 | Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior Acta Crystallographica Section B, 1999, 55, 341-347 |
| 2002957 | CIF Paper | Co1.26 Fe2.74 La0.743 Sb12 | I m -3 | 9.0809; 9.0809; 9.0809 90; 90; 90 | 748.84 | Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior Acta Crystallographica Section B, 1999, 55, 341-347 |
| 2002958 | CIF Paper | Co1.26 Fe2.74 La0.743 Sb12 | I m -3 | 9.0814; 9.0814; 9.0814 90; 90; 90 | 748.96 | Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior Acta Crystallographica Section B, 1999, 55, 341-347 |
| 2002959 | CIF Paper | Co1.26 Fe2.74 La0.743 Sb12 | I m -3 | 9.0839; 9.0839; 9.0839 90; 90; 90 | 749.58 | Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior Acta Crystallographica Section B, 1999, 55, 341-347 |
| 2002960 | CIF Paper | Co1.26 Fe2.74 La0.743 Sb12 | I m -3 | 9.0771; 9.0771; 9.0771 90; 90; 90 | 747.9 | Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior Acta Crystallographica Section B, 1999, 55, 341-347 |
| 2002961 | CIF Paper | Co1.26 Fe2.74 La0.743 Sb12 | I m -3 | 9.0762; 9.0762; 9.0762 90; 90; 90 | 747.67 | Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior Acta Crystallographica Section B, 1999, 55, 341-347 |
| 2002962 | CIF Paper | C H8 F6 N4 Si | P c c n | 10.4232; 17.6675; 7.5363 90; 90; 90 | 1387.82 | Ross II, Charles R.; Bauer, M.R.; Nielson, R.M; Abrahams, S.C. Anhydrous ammonioguanidinium(2+) and dihydrated bis[aminoguanidinium(1+)] hexafluorosilicates: new co-products of preparing ferroelectric ammonioguanidinium(2+) hexafluorozirconate Acta Crystallographica Section B, 1999, 55, 246-254 |
| 2002963 | CIF Paper | C2 H18 F6 N8 O2 Si | P -1 | 6.5124; 6.6952; 8.0215 70.723; 82.745; 89.243 | 327.348 | Ross II, Charles R.; Bauer, M.R.; Nielson, R.M; Abrahams, S.C. Anhydrous ammonioguanidinium(2+) and dihydrated bis[aminoguanidinium(1+)] hexafluorosilicates: new co-products of preparing ferroelectric ammonioguanidinium(2+) hexafluorozirconate Acta Crystallographica Section B, 1999, 55, 246-254 |
| 2002964 | CIF | Cs3 H3.5 O12 P0.5 S2.5 | C 1 2/c 1 | 19.769; 7.685; 8.858 90; 100.6; 90 | 1322.8 | Acta Crystallographica, Section B, 1999, 55, 285-296 |
| 2002965 | CIF | Cs3 H3.5 O12 P0.5 S2.5 | C 1 2/c 1 | 19.769; 7.685; 8.858 90; 100.6; 90 | 1322.8 | Acta Crystallographica, Section B, 1999, 55, 285-296 |
| 2002966 | CIF Paper | C2 H2 F3 N O | P 21 21 21 | 4.547; 5.947; 14.731 90; 90; 90 | 398.3 | Perpetuo, Genivaldo; Buschmann, Jürgen; Luger, Peter; Lentz, Dieter; Dreissig, D. Low-temperature crystallization and structure determination of <i>N</i>-(trifluoromethyl)formamide, <i>N</i>-(2,2,2-trifluoroethyl)formamide and 2,2,2-trifluoroethyl isocyanide Acta Crystallographica Section B, 1999, 55, 70-77 |
| 2002967 | CIF Paper | C3 H4 F3 N O | P 1 21/n 1 | 4.807; 16.707; 6.708 90; 109.9; 90 | 506.55 | Perpetuo, Genivaldo; Buschmann, Jürgen; Luger, Peter; Lentz, Dieter; Dreissig, D. Low-temperature crystallization and structure determination of <i>N</i>-(trifluoromethyl)formamide, <i>N</i>-(2,2,2-trifluoroethyl)formamide and 2,2,2-trifluoroethyl isocyanide Acta Crystallographica Section B, 1999, 55, 70-77 |
| 2002968 | CIF Paper | C3 H2 F3 N | P 21 21 21 | 5.668; 9.266; 8.626 90; 90; 90 | 453 | Perpetuo, Genivaldo; Buschmann, Jürgen; Luger, Peter; Lentz, Dieter; Dreissig, D. Low-temperature crystallization and structure determination of <i>N</i>-(trifluoromethyl)formamide, <i>N</i>-(2,2,2-trifluoroethyl)formamide and 2,2,2-trifluoroethyl isocyanide Acta Crystallographica Section B, 1999, 55, 70-77 |
| 2002971 | CIF HKL Paper | C28 H24 N2 O8 S2 | P 1 21/a 1 | 8.3506; 18.0102; 9.636 90; 110.869; 90 | 1354.1 | Ferguson, George; Glidewell, Christopher; Gregson, Richard M.; Lavender, Emma S. Crystal engineering using bisphenols: interwoven ladders, sheet and framework structures in the binary adducts of 4,4'-sulfonyldiphenol with pyrazine (2/1), 4,4'-bipyridyl (1/1), <i>trans</i>-1,2-bis(4-pyridyl)ethene (1/1), 1,2-bis(4-pyridyl)ethane (1/1) and 4,4'-trimethylenedipyridine (1/1), and in 4,4'-sulfonyldiphenol‒4,4'-trimethylenedipiperidine‒water (2/2/1) Acta Crystallographica, Section B: Structural Science, 1999, 55, 573-590 |
| 2002972 | CIF HKL Paper | C22 H18 N2 O4 S | P 1 21/n 1 | 7.5765; 23.9154; 11.225 90; 105.921; 90 | 1955.9 | Ferguson, George; Glidewell, Christopher; Gregson, Richard M.; Lavender, Emma S. Crystal engineering using bisphenols: interwoven ladders, sheet and framework structures in the binary adducts of 4,4'-sulfonyldiphenol with pyrazine (2/1), 4,4'-bipyridyl (1/1), <i>trans</i>-1,2-bis(4-pyridyl)ethene (1/1), 1,2-bis(4-pyridyl)ethane (1/1) and 4,4'-trimethylenedipyridine (1/1), and in 4,4'-sulfonyldiphenol‒4,4'-trimethylenedipiperidine‒water (2/2/1) Acta Crystallographica, Section B: Structural Science, 1999, 55, 573-590 |
| 2002973 | CIF HKL Paper | C24 H20 N2 O4 S | P -1 | 7.3981; 12.7472; 13.0006 115.037; 102.398; 94.239 | 1065.9 | Ferguson, George; Glidewell, Christopher; Gregson, Richard M.; Lavender, Emma S. Crystal engineering using bisphenols: interwoven ladders, sheet and framework structures in the binary adducts of 4,4'-sulfonyldiphenol with pyrazine (2/1), 4,4'-bipyridyl (1/1), <i>trans</i>-1,2-bis(4-pyridyl)ethene (1/1), 1,2-bis(4-pyridyl)ethane (1/1) and 4,4'-trimethylenedipyridine (1/1), and in 4,4'-sulfonyldiphenol‒4,4'-trimethylenedipiperidine‒water (2/2/1) Acta Crystallographica, Section B: Structural Science, 1999, 55, 573-590 |
| 2002974 | CIF HKL Paper | C24 H22 N2 O4 S | P -1 | 7.7599; 12.4866; 12.914 114.003; 104.694; 93.69 | 1085.6 | Ferguson, George; Glidewell, Christopher; Gregson, Richard M.; Lavender, Emma S. Crystal engineering using bisphenols: interwoven ladders, sheet and framework structures in the binary adducts of 4,4'-sulfonyldiphenol with pyrazine (2/1), 4,4'-bipyridyl (1/1), <i>trans</i>-1,2-bis(4-pyridyl)ethene (1/1), 1,2-bis(4-pyridyl)ethane (1/1) and 4,4'-trimethylenedipyridine (1/1), and in 4,4'-sulfonyldiphenol‒4,4'-trimethylenedipiperidine‒water (2/2/1) Acta Crystallographica, Section B: Structural Science, 1999, 55, 573-590 |
| 2002975 | CIF HKL Paper | C25 H24 N2 O4 S | P 1 21/c 1 | 10.0292; 15.579; 15.0208 90; 105.47; 90 | 2261.9 | Ferguson, George; Glidewell, Christopher; Gregson, Richard M.; Lavender, Emma S. Crystal engineering using bisphenols: interwoven ladders, sheet and framework structures in the binary adducts of 4,4'-sulfonyldiphenol with pyrazine (2/1), 4,4'-bipyridyl (1/1), <i>trans</i>-1,2-bis(4-pyridyl)ethene (1/1), 1,2-bis(4-pyridyl)ethane (1/1) and 4,4'-trimethylenedipyridine (1/1), and in 4,4'-sulfonyldiphenol‒4,4'-trimethylenedipiperidine‒water (2/2/1) Acta Crystallographica, Section B: Structural Science, 1999, 55, 573-590 |
| 2002976 | CIF Paper | C25 H37 N2 O4.5 S | P 21 21 21 | 12.2739; 19.454; 20.6251 90; 90; 90 | 4924.8 | Ferguson, George; Glidewell, Christopher; Gregson, Richard M.; Lavender, Emma S. Crystal engineering using bisphenols: interwoven ladders, sheet and framework structures in the binary adducts of 4,4'-sulfonyldiphenol with pyrazine (2/1), 4,4'-bipyridyl (1/1), <i>trans</i>-1,2-bis(4-pyridyl)ethene (1/1), 1,2-bis(4-pyridyl)ethane (1/1) and 4,4'-trimethylenedipyridine (1/1), and in 4,4'-sulfonyldiphenol‒4,4'-trimethylenedipiperidine‒water (2/2/1) Acta Crystallographica, Section B: Structural Science, 1999, 55, 573-590 |
| 2002977 | CIF HKL Paper | C24 H18 N2 O2 | C 1 2/c 1 | 13.0288; 12.1865; 12.0778 90; 105.199; 90 | 1850.6 | Ferguson, George; Glidewell, Christopher; Lavender, Emma S. Crystal engineering using bisphenols and trisphenols. Complexes with 1,10-phenanthroline: hydrogen-bonded chains in adducts with 4,4'-biphenol (1/1) and 4,4'-sulfonyldiphenol (2/3), π‒π stacked chains in the (1/2) adduct with 4,4'-thiodiphenol, and pairwise-interwoven nets in 1,1,1-tris(4-hydroxyphenyl)ethane‒1,10-phenanthroline‒methanol (1/1/1) Acta Crystallographica Section B, 1999, 55, 591-600 |
| 2002978 | CIF HKL Paper | C36 H26 N4 O2 S | P -1 | 7.7342; 13.3624; 14.9843 110.514; 95.195; 95.895 | 1429.3 | Ferguson, George; Glidewell, Christopher; Lavender, Emma S. Crystal engineering using bisphenols and trisphenols. Complexes with 1,10-phenanthroline: hydrogen-bonded chains in adducts with 4,4'-biphenol (1/1) and 4,4'-sulfonyldiphenol (2/3), π‒π stacked chains in the (1/2) adduct with 4,4'-thiodiphenol, and pairwise-interwoven nets in 1,1,1-tris(4-hydroxyphenyl)ethane‒1,10-phenanthroline‒methanol (1/1/1) Acta Crystallographica Section B, 1999, 55, 591-600 |
| 2002979 | CIF HKL Paper | C60 H44 N6 O8 S2 | C 1 2/c 1 | 15.8692; 24.3728; 13.0952 90; 102.362; 90 | 4947.5 | Ferguson, George; Glidewell, Christopher; Lavender, Emma S. Crystal engineering using bisphenols and trisphenols. Complexes with 1,10-phenanthroline: hydrogen-bonded chains in adducts with 4,4'-biphenol (1/1) and 4,4'-sulfonyldiphenol (2/3), π‒π stacked chains in the (1/2) adduct with 4,4'-thiodiphenol, and pairwise-interwoven nets in 1,1,1-tris(4-hydroxyphenyl)ethane‒1,10-phenanthroline‒methanol (1/1/1) Acta Crystallographica Section B, 1999, 55, 591-600 |
| 2002980 | CIF Paper | C33 H30 N2 O4 | P b c a | 22.811; 22.029; 10.7965 90; 90; 90 | 5425.3 | Ferguson, George; Glidewell, Christopher; Lavender, Emma S. Crystal engineering using bisphenols and trisphenols. Complexes with 1,10-phenanthroline: hydrogen-bonded chains in adducts with 4,4'-biphenol (1/1) and 4,4'-sulfonyldiphenol (2/3), π‒π stacked chains in the (1/2) adduct with 4,4'-thiodiphenol, and pairwise-interwoven nets in 1,1,1-tris(4-hydroxyphenyl)ethane‒1,10-phenanthroline‒methanol (1/1/1) Acta Crystallographica Section B, 1999, 55, 591-600 |
| 2002981 | CIF Paper | C5 H11 N O6 | P 21 21 21 | 7.301; 7.658; 13.855 90; 90; 90 | 774.6 | Rychlewska, Urszula; Szarecka, Agnieszka; Rychlewski, Jacek; Motała, Rafał A mediated hydrogen bond in an α-hydroxycarboxyl group: X-ray structure of (<i>R</i>,<i>R</i>)-<i>N</i>-methyltartramic acid monohydrate and an <i>ab initio</i> study of model systems Acta Crystallographica Section B, 1999, 55, 617-625 |
| 2002984 | CIF Paper | Fe2 Ho | F d -3 m :2 | 7.3091; 7.3091; 7.3091 90; 90; 90 | 390.47 | Streltsov V. A. Synchrotron X-ray analysis of the electron density in HoFe~2~ Acta Crystallographica Section B, 1999, 55, 321-326 |
| 2002986 | CIF HKL Paper | C51 H52 Cl N O13 | P 21 21 21 | 23.048; 34.383; 11.992 90; 90; 90 | 9503 | Cram, Donald J.; de Graaff, R. A. G.; Knobler, Carolyn B.; Lingenfelter, David S.; Maverick, Emily F.; Trueblood, Kenneth N. Chiral recognition between host and guest: a binaphthyl-18-crown-6 host with <small>D</small>-phenylglycinium methyl ester perchlorate guest. A difficult structure solved with <i>CRUNCH</i> Acta Crystallographica Section B, 1999, 55, 432-440 |
| 2002990 | CIF Paper | C7 H8 N2 O2 | P 1 21/n 1 | 9.369; 5.563; 13.626 90; 92.36; 90 | 709.6 | Ellena, Javier; Goeta, Andrés E.; Howard, Judith A. K.; Wilson, Chick C.; Autino, Juan C.; Punte, Graciela Experimental evidence for the amino-group non-planarity in nitroanilines: neutron diffraction study of 2-methyl-5-nitroaniline at 100 K Acta Crystallographica, Section B: Structural Science, 1999, 55, 209-215 |
| 2002991 | CIF HKL Paper | C12 H26 N2 O4 | P 1 21 1 | 5.289; 12.6877; 11.4872 90; 95.8136; 90 | 766.887 | Görbitz, Carl Henrik; Torgersen, Eirin Symmetry, pseudosymmetry and packing disorder in the alcohol solvates of <small>L</small>-leucyl-<small>L</small>-valine Acta Crystallographica, Section B: Structural Science, 1999, 55, 104-113 |
| 2002992 | CIF HKL Paper | C13 H28 N2 O4 | P 1 21 1 | 11.0112; 23.5186; 12.2636 90; 90.0121; 90 | 3175.88 | Görbitz, Carl Henrik; Torgersen, Eirin Symmetry, pseudosymmetry and packing disorder in the alcohol solvates of <small>L</small>-leucyl-<small>L</small>-valine Acta Crystallographica, Section B: Structural Science, 1999, 55, 104-113 |
| 2002993 | CIF HKL Paper | C14 H30 N2 O4 | P 21 21 21 | 5.1709; 14.6136; 22.423 90; 90; 90 | 1694.4 | Görbitz, Carl Henrik; Torgersen, Eirin Symmetry, pseudosymmetry and packing disorder in the alcohol solvates of <small>L</small>-leucyl-<small>L</small>-valine Acta Crystallographica, Section B: Structural Science, 1999, 55, 104-113 |
| 2002994 | CIF Paper | C10 H8 I1.5 S8 | P -1 | 6.585; 9.038; 15.205 94.9; 95.74; 110 | 839.138 | Madsen, Dennis; Burghammer, Manfred; Fiedler, Stefan; Muller, Harald The single-crystal structure of the organic superconductor β~CO~-(BEDT-TTF)~2~I~3~ from a powder grain Acta Crystallographica Section B, 1999, 55, 601-606 |
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