Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1101009 | CIF | C13 H28 N2 O | P 1 21/c 1 | 21.1; 7.364; 9.2 90; 95.085; 90 | 1423.8 | Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Journal of Molecular Structure, 2005, 734, 23-33 |
| 1101010 | CIF | C14 H30 N2 O | P 1 21/c 1 | 23.124; 7.542; 9.299 90; 99.751; 90 | 1598.3 | Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Journal of Molecular Structure, 2005, 734, 23-33 |
| 1101011 | CIF | C14 H30 N2 O | P 1 21/c 1 | 22.936; 7.4127; 9.314 90; 99.29; 90 | 1562.8 | Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Journal of Molecular Structure, 2005, 734, 23-33 |
| 1101012 | CIF | C14 H30 N2 O | P 1 21/c 1 | 21.986; 7.405; 9.313 90; 93.909; 90 | 1512.7 | Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Journal of Molecular Structure, 2005, 734, 23-33 |
| 1101013 | CIF | C15 H32 N2 O | P 1 21/c 1 | 23.601; 7.639; 9.326 90; 94.882; 90 | 1675.4 | Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Journal of Molecular Structure, 2005, 734, 23-33 |
| 1101014 | CIF | C15 H32 N2 O | P 1 21/c 1 | 23.257; 7.4723; 9.269 90; 90.332; 90 | 1610.8 | Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Journal of Molecular Structure, 2005, 734, 23-33 |
| 1101015 | CIF | Co4 H6 Mo4 O19 | P -1 | 6.844; 6.933; 9.339 76.617; 84.188; 74.51 | 415.1 | Eda, Kazuo; Uno, Yuichi; Nagai, Noriko; Sotani, Noriyuki; Whittingham, M. Stanley Crystal structure of cobalt molybdate hydrate CoMoO~4~·nH2O Journal of Solid State Chemistry, 2005, 178, 2791-2797 |
| 1101017 | CIF | C8 H32 Cl2 Co2 N8 O6 S4 | P -1 | 6.3067; 7.782; 12.7658 100.043; 91.562; 107.339 | 586.8 | Raj Pal Sharma; Rajni Sharma; Ritu Bala; Miguel Quirós; Juan M. Salas Journal of Coordination Chemistry, 2005, 58, 1099-1104 |
| 1101019 | CIF | Pt | Fm-3m | 3.9195998; 3.9195998; 3.9195998 90; 90; 90 | 60.22 | no bibliography |
| 1101030 | CIF | Al3 H2 K O12 Si3 | C 1 2/c 1 | 5.189; 8.996; 20.096 90; 95.18; 90 | 934.3 | Radoslovich, E. W. The Structure of Muscovite, KAl~2~(Si~3~Al)O~10~(OH)~2~ Acta Crystallographica, 1960, 13, 919-932 |
| 1101035 | CIF | O Sn | C m c 21 | 5; 5.72; 11.12 90; 90; 90 | 318 | Donaldson, J. D.; Moser, W.; Simpson, W. B. 178. Red tin(II) oxide Journal of the Chemical Society, 1961, 839-841 |
| 1101045 | CIF | N Ti | F m -3 m | 4.244; 4.244; 4.244 90; 90; 90 | 76.4 | Ehrlich, P; Juza, R Review of German Science, 1939-1946, Inorganic Chemistry. Fiat Review of German Science, 1948, 2, 64-64 |
| 1101047 | CIF | N2.333 Ti4 | R -3 m :H | 2.9795; 2.9795; 28.96492 90; 90; 120 | 227.8 | Lengauer, W.; Ettmayer, P. The crystal structure of a new phase in the titanium-nitrogen system Journal of the Less-Common Metals, 1986, 120, 153-159 |
| 1101052 | CIF | C40 H72 N40 Ni9 O42 | P -1 | 11.0481; 18.27; 21.386 65.966; 83.287; 86.043 | 3914.4 | Sawsan Salameh; Mohammad Abul-Haj; Miguel Quirós; Juan M. Salas European Journal of Inorganic Chemistry, 2005, 2779-2782 |
| 1101053 | CIF | K2 Mo4 O13 | P b c a | 7.5479; 15.391; 18.527 90; 90; 90 | 2152.3 | Kazuo Eda; Kin Chin; Noriyuki Sotani; M. Stanley Whittingham Journal of Solid State Chemistry |
| 1101054 | CIF | Al2 Ca O12 Si4 | P1 | 5.18; 8.98; 15 90; 90; 90 | 697.75 | no bibliography |
| 1101055 | CIF | C20 H14 O2 | P 63 | 27.864; 27.864; 12.983 90; 90; 120 | 8729.7 | Yamamura, Kimiaki; Kawashima Taiga; Eda, Kazuo; Tajima, Fukue; Hashimoto, Masao Solid solution of triptycenequinone and triptycenehydroquinone as a non-stoichiometric quinhydrone. Bathochromic changes in color caused by local intermolecular interaction between p-benzoquinone and hydroquinone moieties Journal of Molecular Structure, 2005, 737, 1-6 |
| 1101056 | CIF | C13 H13 N O3 | P 21 21 21 | 6.8078; 9.3184; 17.5481 90; 90; 90 | 1113.21 | Coles, Simon J.; Hursthouse, Michael B.; Whitby, Richard J.; Hunter, Rupert private communication |
| 1101057 | CIF | C10 H12 Cl2 N8 O4 Pt | P 1 21/n 1 | 10.046; 13.354; 13.128 90; 112.08; 90 | 1631.9 | Salas, Juan M.; Quirós, Miguel; Abul Haj, Mohammad; Magán, Rosa; Marín, Clotilde; Sáchez-Moreno, Manuel; Faure, René Activity of Pt(II) and Ru(III) Triazolopyrimidine Complexes Against Parasites of the Genus Leishmania, Trypanosomas and Phytomonas Metal-Based Drugs, 2001, 8, 119-124 |
| 1101058 | CIF | C10 H8 Ag2 N10 O8 | P 1 21/c 1 | 5.3881; 18.245; 8.71 90; 97.946; 90 | 848.04 | Mohammad Abul Haj; Miguel Quirós; Juan M. Salas; René Faure Silver complexes with triazolopyrimidine ligands containing an exocyclic oxygen atom: X-ray evidence for an unusual tautomeric form. Dalton Transactions, 2001, 1798-1801 |
| 1101059 | CIF | C10 H12 Ag2 Cl2 N8 O12 | P -1 | 5.6419; 8.6644; 11.136 74.07; 81.49; 76.53 | 507.02 | Mohammad Abul Haj; Miguel Quirós; Juan M. Salas; René Faure Silver complexes with triazolopyrimidine ligands containing an exocyclic oxygen atom: X-ray evidence for an unusual tautomeric form. Dalton Transactions, 2001, 1798-1801 |
| 1101060 | CIF | C5 H4 Ag Cl N4 O5 | C 1 c 1 | 6.6046; 14.487; 9.9594 90; 93.379; 90 | 951.3 | Mohammad Abul Haj; Miguel Quirós; Juan M. Salas; René Faure Silver complexes with triazolopyrimidine ligands containing an exocyclic oxygen atom: X-ray evidence for an unusual tautomeric form. Dalton Transactions, 2001, 1798-1801 |
| 1101061 | CIF | C36 H32 Ag2 N26 O14 Pt2 | C 1 2/c 1 | 25.778; 13.521; 13.315 90; 98.06; 90 | 4595 | Mohammad Abul Haj; Miguel Quirós; Juan M. Salas; René Faure Structure of a tetranuclear heterometallic Ag(I)-Pt(II) complex with a triazolopyrimidine derivative. Inorganic Chemistry Communications, 2001, 4, 254-256 |
| 1101062 | CIF Paper | Ca2 Fe2 O5 | Imma(00\g)s00 | 5.4931; 15.038; 5.6511 90; 90; 90 | 466.81 | Krüger, Hannes; Kahlenberg, Volker Incommensurately modulated ordering of tetrahedral chains in Ca~2~Fe~2~O~5~ at elevated temperatures Acta Crystallographica Section B, 2005, 61, 656-662 |
| 1101063 | CIF | Ca2 Fe2 O5 | P n m a | 5.4473; 14.839; 5.6185 90; 90; 90 | 454.15 | Kruger, Hannes; Kahlenberg, Volker 'Unpublished' |
| 1101064 | CIF | Ca2 Fe2 O5 | P n m a | 5.4589; 14.907; 5.6277 90; 90; 90 | 457.95 | Kruger, Hannes; Kahlenberg, Volker 'Unpublished' |
| 1101065 | CIF | Ca2 Fe2 O5 | P n m a | 5.472; 14.975; 5.6368 90; 90; 90 | 461.89 | Kruger, Hannes; Kahlenberg, Volker 'Unpublished' |
| 1101066 | CIF | Ca2 Fe2 O5 | P n m a | 5.4421; 14.785; 5.6112 90; 90; 90 | 451.5 | Kruger, Hannes; Kahlenberg, Volker 'Unpublished' |
| 1101067 | CIF | C4 H11 N3 O3 | P 1 21/c 1 | 12.5; 5.01; 12.16 90; 109; 90 | 720.031 | Mendel, H.; Hodgkin, D. C. The crystal structure of creatine monohydrate Acta Crystallographica, 1954, 7, 443-446 |
| 1101069 | CIF | C4 H11 N3 O3 | P 1 21/c 1 | 12.51; 5.048; 12.191 90; 108.9; 90 | 728.36 | Y.Kato; Y.Haimoto; K.Sakurai Bull.Chem.Soc.Jpn., 1979, 52, 233 |
| 1101070 | CIF | C4 H11 N3 O3 | P 1 21/c 1 | 12.492; 4.967; 12.051 90; 109.1; 90 | 706.574 | C.S.Frampton; C.C.Wilson; N.Shankland; A.J.Florence J.Chem.Soc.,Faraday Trans., 1997, 93, 1875 |
| 1101071 | CIF | C4 H11 N3 O3 | P 1 21/c 1 | 12.489; 4.987; 12.075 90; 108.86; 90 | 711.686 | Frampton, Christopher S.; Wilson, Chick C.; Shankland, Norman; Florence, Alastair J. Single-crystal neutron refinement of creatine monohydrate at 20 K and 123 K Journal of the Chemical Society, Faraday Transactions, 1997, 93, 1875-1879 |
| 1101072 | CIF | C4 H11 N3 O3 | P 1 21/a 1 | 12.159; 5.038; 12.491 90; 108.87; 90 | 724.038 | Arakali, Aruna V.; McCloskeyt, J.; Parthasarathy, R.; Alderfer, J. L.; Chheda, G. B.; Srikrishnan, T. Study of Creatinine and its 5-Alkoxy Analogs: Structure and Conformational Studies in the Solid and Solution States by X-Ray Crystallography, NMR, UV and Mass Spectrometry Nucleosides & Nucleotides, 1997, 16, 2193-2218 |
| 1101073 | CIF | C20 H20 Cu2 N16 O8 | P b c a | 10.2473; 16.1318; 16.2087 90; 90; 90 | 2679.4 | Mohammad Abul Haj; Miguel Quirós; Juan M. Salas; José A. Dobado; José Molina Molina; Manuel G. Basallote; M. Ángeles Máñez European Journal of Inorganic Chemistry, 2002, 811-818 |
| 1101074 | CIF | C34 H34 Cu2 N14 O14 | P 1 21/c 1 | 11.9565; 14.422; 23.888 90; 104.132; 90 | 3994.5 | Mohammad Abul Haj; Miguel Quirós; Juan M. Salas; José A. Dobado; José Molina Molina; Manuel G. Basallote; M. Ángeles Máñez European Journal of Inorganic Chemistry, 2002, 811-818 |
| 1101075 | CIF | C22 H29 Cl2 Cu2 N16 O15.5 | P -1 | 11.6132; 12.2274; 14.7856 97.278; 108.381; 110.615 | 1796.8 | Mohammad Abul Haj; Miguel Quirós; Juan M. Salas; José A. Dobado; José Molina Molina; Manuel G. Basallote; M. Ángeles Máñez European Journal of Inorganic Chemistry, 2002, 811-818 |
| 1101076 | CIF | Fe Pb4 S14 Sb6 | P 1 21/a 1 | 15.75; 19.125; 4.03 90; 91.68; 90 | 1213.4 | Matsushita, Yoshitaka; Ueda, Yutaka Structure and Physical Properties of 1D Magnetic Chalcogenide, Jamesonite (FePb4Sb6S14) Inorg. Chem., 2003, 42, 7830-7838 |
| 1101077 | CIF Paper | Li O4 V2 | F d -3 m :2 | 8.2437; 8.2437; 8.2437 90; 90; 90 | 560.23 | Matsushita, Yoshitaka; Yamaura, Jun-Ichi; Ueda, Yutaka Lithium divanadate spinel, LiV~2~O~4~ Acta Crystallographica, Section E, 2005, 61, i137-i139 |
| 1101078 | CIF | C24 H52 Br1.33 N10.67 O18 | P -1 | 8.4812; 10.5077; 11.8177 80.425; 71.135; 86.857 | 982.7 | Manuel G. Basallote; Joaquín Durán; María J. Fernández-Trujillo; M. Ángeles Máñez; Miguel Quirós; Juan M. Salas Polyhedron, 2001, 20, 297-305 |
| 1101079 | CIF | Na6 O19 Si8 | P 1 21/c 1 | 4.9038; 23.481; 15.392 90; 90.14; 90 | 1772.3 | Kruger, Hannes; Kahlenberg, Volker; Kaindl, R. Structural studies on Na6Si8O19 - a monophyllosilicate with a new type of layered silicate anion Solid State Sciences, 2005, 7, 1390-1396 |
| 1101080 | CIF | Cs Mo3 O25 P5.8 Si2 | P -3 1 c | 8.272; 8.271986; 17.581 90; 90; 120 | 1041.82 | Caesium Molybdosilicophosphate |
| 1101081 | CIF | N Ti | F m -3 m | 4.241; 4.241; 4.241 90; 90; 90 | 76.28 | A1803_4 |
| 1101082 | CIF | Hf0.4 O3 Pb Ti0.6 | P 4 m m | 3.9483006; 3.9483006; 3.9128053 90; 90; 90 | 61 | LaB6 powder 1x1 slits |
| 1101084 | CIF | C34 H26 Cl2 N12 O12 Pd2 | P b c a | 15.468; 20.652; 25.162 90; 90; 90 | 8038 | Mohammad Abul Haj; Miguel Quirós; Juan M. Salas Solution and solid state coexistence of head‒head and head‒tail isomers in dimeric Pd(II) and Pt(II) complexes of the type [M2(a‒a)2(µ-L-N3N4)2]2+ with a bridging triazolopyrimidine ligand and chelating bidentate diamines J. Chem. Soc., Dalton Trans., 2002, 4740-4745 |
| 1101085 | CIF | C26 H29 Cl3 N16 O19 Pd2 | P m m n :2 | 11.1799; 18.94; 9.6374 90; 90; 90 | 2040.7 | Mohammad Abul Haj; Miguel Quirós; Juan M. Salas Solution and solid state coexistence of head‒head and head‒tail isomers in dimeric Pd(II) and Pt(II) complexes of the type [M2(a‒a)2(µ-L-N3N4)2]2+ with a bridging triazolopyrimidine ligand and chelating bidentate diamines J. Chem. Soc., Dalton Trans., 2002, 4740-4745 |
| 1101086 | CIF | C26 H30 N18 O14 Pt2 | P 6/m | 26.509; 26.509; 10.1184 90; 90; 120 | 6157.9 | Mohammad Abul Haj; Miguel Quirós; Juan M. Salas Solution and solid state coexistence of head‒head and head‒tail isomers in dimeric Pd(II) and Pt(II) complexes of the type [M2(a‒a)2(µ-L-N3N4)2]2+ with a bridging triazolopyrimidine ligand and chelating bidentate diamines J. Chem. Soc., Dalton Trans., 2002, 4740-4745 |
| 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 |
| 1101089 | CIF | C12 H12 Cl2 N8 O V | P 1 21/n 1 | 11.4188; 10.5354; 14.2058 90; 97.179; 90 | 1695.6 | Juan Cancela; María J. González Garmendia; Miguel Quirós Inorganica Chimica Acta, 2001, 313, 156-159 |
| 1101090 | CIF | C5 H5 N4 O1.5 | C 1 2/c 1 | 28.836; 3.6902; 12.116 90; 109.763; 90 | 1213.3 | Mohammad Abul Haj; Juan M. Salas; Miguel Quirós; José Molina; René Faure 5-Oxo and 7-oxo derivatives of [1,2,4]triazolo-[1,5-a]pyrimidine: characterization and theoretical study Journal of Molecular Structure, 2000, 519, 165-172 |
| 1101092 | CIF | C8 H13 Cd Cl2 N5 O4 | P -1 | 7.2653; 7.9452; 12.5441 84.702; 75.186; 78.932 | 686.3 | Ángel García Raso; Juan J. Fiol; Ferran Bádenas; Rosa Cons; Ángel Terrón; Miguel Quirós Synthesis and structural studies of metal-acyclovir (ACV) complexes: [Ni(or Co)(ACV)~2~(H~2~O)~4~]Cl~2~.2ACV, [Zn(ACV)Cl~2~(H~2~O)], [Cd(ACV)Cl~2~].H~2~O and [{Hg(ACV)Cl~2~}~x~]. Recognition of acyclovir by Ni-ACV Journal of the Chemical Society, Dalton Transactions, 1999, 167-173 |
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