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 |
| 1101093 | CIF | C34 H42 Co N12 O8 | P -1 | 9.7368; 12.3461; 17.1837 78.372; 74.585; 71.113 | 1869 | Francisco Hueso-Ureña; Antonio L. Peñas-Chamorro; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas A cobalt(II) complex with the N,N,O-tridentate ligand 6-amino-5-formyl-1,3-dimethyluracilato-benzoyl-hydrazone Journal of Chemical Crystallography, 1999, 29, 283-286 |
| 1101094 | CIF | B Cl2 Co F4 H18 N6 | P 1 21/c 1 | 13.4973; 7.4289; 12.1669 90; 109.511; 90 | 1149.92 | Raj Pal Sharma; Ritu Bala; Rajni Sharma; Paloth Venugopalan; Juan M. Salas; Miguel Quirós Second sphere coordination in anion binding: Synthesis, spectroscopic characterization and single crystal X-ray structure determination of hexaamminecobalt(III) dichloride tetrafluoroborate Journal of Fluorine Chemistry, 2005, 126, 1543-1548 |
| 1101095 | CIF | C8 H11 Cu N7 O5 | P 1 21/c 1 | 6.9193; 11.8361; 15.259 90; 97.482; 90 | 1239 | Francisco Hueso-Ureña; Antonio L. Peñas-Chamorro; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas Synthesis, spectral and XRD studies on three O-nitrito-complexes with new N,N,O-tridentate Schiff bases derived from 6-amino-5-formyl-1,3-dimethyluracil and semicarbazide, acetylhydrazine and benzoylhydrazine Polyhedron, 1999, 18, 351-360 |
| 1101096 | CIF | C9 H14 Cu N6 O6 | P 1 21/c 1 | 5.291; 12.0171; 21.792 90; 93.981; 90 | 1382.2 | Francisco Hueso-Ureña; Antonio L. Peñas-Chamorro; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas Synthesis, spectral and XRD studies on three O-nitrito-complexes with new N,N,O-tridentate Schiff bases derived from 6-amino-5-formyl-1,3-dimethyluracil and semicarbazide, acetylhydrazine and benzoylhydrazine Polyhedron, 1999, 18, 351-360 |
| 1101097 | CIF | C16 H20 Cl2 Cu N8 O6 | P -1 | 7.783; 8.0754; 10.252 99.326; 103.785; 118.47 | 520.67 | Francisco Hueso-Ureña; Sonia B. Jiménez-Pulido; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas Synthesis and structural studies on new M^II^X~2~L~2~ dihalocomplexes of 1,3-dimethyllumazine and 1,3,6,7-tetramethyllumazine. Crystal structure of the monodimensionally hydrogen-bonded dichloro-bis(1,3-dimethylpteridine-2,4(1H,3H)-dione-O^4^,N^5^) copper(II) dihydrate Polyhedron, 1999, 18, 85-91 |
| 1101098 | CIF | C65 H85 N15 O35 | C 1 2 1 | 39.54; 8.72; 22.89 90; 95.26; 90 | 7859 | Jarmula, Adam; Rypniewski, Wojciech R.; Felczak, Krzysztof; Rode, Wojciech Struct. Chem., 2005, 541-549 |
| 1101099 | CIF | C13 H16 F N3 O7 | C 1 2 1 | 21.72; 8.72; 8.61 90; 90.42; 90 | 1631 | Jarmula, Adam; Rypniewski, Wojciech R.; Felczak, Krzysztof; Rode, Wojciech Struct. Chem., 2005, 541-549 |
| 1101100 | CIF | C15 H24 O2 | C 1 2 1 | 12.925; 6.367; 16.628 90; 98.07; 90 | 1354.8 | Alejandro F. Barrero; María M. Herrador; Ramón J. Álvarez-Manzaneda; Miguel Quirós; Armando Lara; José Quílez del Moral Longipinene derivatives from Santolina Viscosa Journal of Natural Products, 2000, 63, 587-591 |
| 1101101 | CIF | O5 P V | P b a m | 17.397; 8.81986; 4.90794 90; 90; 90 | 753.07 | Richard Harlow; Zhigang Li; Normal Herron; Harold Horowitz; Eugene McCarron; James Richardson; Brian Toby The Crystal Structure of the Gamma Phase of Vanadyl Phosphate, gamma-VOPO4, Solved and Refined Using Both Synchrotron and Neutron Powder Diffraction Data unpublished |
| 1101102 | CIF | C8 H13 Cl2 N5 O4 Zn | P -1 | 7.7878; 8.6616; 10.9133 97.841; 106.91; 94.22 | 692.74 | 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 |
| 1101103 | CIF | C32 H52 Cl2 N20 Ni O16 | P 1 21/n 1 | 12.6672; 15.134; 12.8273 90; 111.077; 90 | 2294.5 | 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 |
| 1101105 | CIF | C20 H42 N8 Ni O22 | P 1 | 7.152; 8.83; 13.783 82.024; 86.155; 70.9 | 814.3 | Francisca Barrios; Juan M. Salas; M. Purificación Sánchez; Miguel Quirós; René Faure X-ray crystal structure of tetraaquabis(xanthosinato) nickel(II) hexahydrate Journal of Chemical Crystallography, 1999, 29, 1009-1013 |
| 1101106 | CIF | C14 H16 N6 O6 Zn | P 1 21/c 1 | 7.3518; 21.308; 11.0976 90; 99.245; 90 | 1715.9 | Francisco Hueso-Ureña; Antonio L. Peñas-Chamorro; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas Synthesis, spectral and XRD studies on three O-nitrito-complexes with new N,N,O-tridentate Schiff bases derived from 6-amino-5-formyl-1,3-dimethyluracil and semicarbazide, acetylhydrazine and benzoylhydrazine Polyhedron, 1999, 18, 351-360 |
| 1101107 | CIF | C16 H22 Cl2 Cu N8 O15 | P 21 21 21 | 8.749; 14.213; 21.2 90; 90; 90 | 2636.2 | Francisco Hueso-Ureña; Sonia B. Jiménez-Pulido; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas Crystal structure of the Λ-[4M] enantiomer of cis-diaqua-bis(1,3-dimethylpteridine-2,4(1H,3H)-dione-N^5^,O^4^) copper(II) perchlorate monohydrate Journal of Chemical Crystallography, 1999, 29, 571-574 |
| 1101108 | CIF | C70 H54 Cl2 Cu2 N12 O14 | C 1 2/c 1 | 23.522; 13.6089; 22.327 90; 112.478; 90 | 6604 | José M. Seco; Miguel Quirós; María J. González Garmendia Synthesis, X-ray crystal structure and spectroscopic, magnetic and EPR studies of copper(II) dimers with methoxy-di-(2-pyridyl)methoxide as bridging ligand Polyhedron, 2000, 19, 1005-1013 |
| 1101109 | CIF | C44 H39 Cu2 F12 N8 O4.5 P2 | P 1 21/c 1 | 25.197; 14.495; 29.659 90; 115.55; 90 | 9773.1 | José M. Seco; Miguel Quirós; María J. González Garmendia Synthesis, X-ray crystal structure and spectroscopic, magnetic and EPR studies of copper(II) dimers with methoxy-di-(2-pyridyl)methoxide as bridging ligand Polyhedron, 2000, 19, 1005-1013 |
| 1101110 | 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; Miguel Quirós; María J. González Garmendia Synthesis, X-ray crystal structure and spectroscopic, magnetic and EPR studies of copper(II) dimers with methoxy-di-(2-pyridyl)methoxide as bridging ligand Polyhedron, 2000, 19, 1005-1013 |
| 1101111 | CIF | Fe Li O4 P | P n m a | 10.3328; 6.0043; 4.6977 90; 90; 90 | 291.45 | MAUD software |
| 1101113 | CIF | Fe H4 N O8 S2 | R -3 :H | 4.827522; 4.827522; 24.40002 90; 90; 120 | 492.458 | Richard L. Harlow; John M. Novak Unpublished |
| 1101114 | CIF | C56 H48 Cu2 I2 N4 | P 1 21/c 1 | 12.28; 27.44; 15.13 90; 100.82; 90 | 5007.6 | Kia, Reza; Mirkhani, Valiollah; Harkema, Sybolt; van Hummel, Gerrit J. Synthesis and characterization of the 1:1 adducts of copper(I) halides with bidentate N,N'-bis(benzophenone)-1,2-diiminoethane Schiff base: Crystal structures of [Cu(bz2en)2][CuX2] (X = Br, I) complexes Inorganica Chimica Acta, 2007, 360, 3369-3375 |
| 1101115 | CIF | C7 H13 Ag N4 O6 S | P -1 | 8.128; 8.824; 9.993 115.05; 101.83; 91.75 | 630 | Juan M. Salas; M. Angustias Romero; Abderrahman Rahmani; Miguel Quirós Dimeric complexes generated by the reaction of 5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine and silver sulphate: X-ray evidence of the coexistence of two different dimers in the same crystal Anales de Quimica, International Edition, 1996, 92, 249-254 |
| 1101116 | CIF | Al Ca F5 | P 1 21/c 1 | 5.3361; 9.8298; 7.3271 90; 109.911; 90 | 361.4 | Body, M.; Silly, G.; Legein, C.; Buzaré, J.-Y.; Calvayrac, F.; Blaha, P. Structural investigations of β-CaAlF5 by coupling powder XRD, NMR, EPR and spectroscopic parameter calculations Journal of Solid State Chemistry, 2005, 178, 3655-3643 |
| 1101117 | CIF | C20 H24 Cd N10 O10 | P 1 21/c 1 | 8.5689; 18.5279; 8.6209 90; 106.894; 90 | 1309.62 | Francisco Hueso-Ureña; Sonia B. Jiménez-Pulido; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas Synthesis and structural studies on metal nitrate complexes with 1,3-dimethyllumazine and 1,3,6,7-tetramethyllumazine: crystal structure of two new cobalt(II) and copper(II) three-dimensionally hydrogen-bonded complexes and a cadmium(II) complex with unusual geometry Inorganica Chimica Acta, 1998, 277, 103-110 |
| 1101118 | CIF | C42 H55 Cd Cl2 N18 O18.5 | P 1 21/n 1 | 14.4479; 22.195; 17.12 90; 97.126; 90 | 5447.5 | Nuria A. Illán-Cabeza; Rosario A. Vilaplana; Ysmael Álvarez; Khalid Akdi; Sanae Kamah; Francisco Hueso-Ureña; Miguel Quirós; Francisco González-Vílchez; Miguel N. Moreno-Carretero Synthesis, structure and biological activity of a new and efficient Cd(II)-uracil derivative complex system for cleavage of DNA JBIC Journal of Biological Inorganic Chemistry, 2005, 10, 924-934 |
| 1101119 | CIF | C12 H22 N12 O10 Pt | P -1 | 7.859; 11.811; 12.986 73.69; 84.53; 85.8 | 1150.3 | Jorge A. R. Navarro; M. Angustias Romero; Juan M. Salas; Miguel Quirós Kinetically and thermodynamically controlled formation of homo- and heterobinuclear platinum(II) and palladium(II) complexes supported by bidentate triazolopyrimidine ligands Inorganic Chemistry, 1997, 36, 3277-3283 |
| 1101122 | CIF | C16 H24 Co N10 O14 | P 1 21/n 1 | 8.746; 13.584; 10.997 90; 94.89; 90 | 1301.8 | Francisco Hueso-Ureña; Sonia B. Jiménez-Pulido; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas Synthesis and structural studies on metal nitrate complexes with 1,3-dimethyllumazine and 1,3,6,7-tetramethyllumazine: crystal structure of two new cobalt(II) and copper(II) three-dimensionally hydrogen-bonded complexes and a cadmium(II) complex with unusual geometry Inorganica Chimica Acta, 1998, 277, 103-110 |
| 1101123 | CIF | C10 H16 Cl2 Cu N4 O4 | P b c a | 14.045; 11.749; 19.701 90; 90; 90 | 3251 | Francisco Hueso-Ureña; Sonia B. Jiménez-Pulido; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas Synthesis and structural studies on 1:1 metal complexes with 1,3-dimethyllumazine and 1,3,6,7-tetramethyllumazine. Crystal structure of two dichloro copper(II) and mercury(II) compounds and a polymeric chloro-nitrato bridged-mercury(II) complex. Polyhedron, 1998, 17, 3409-3418 |
| 1101124 | CIF | C20 H32 Cu N10 O14 | P 1 21/n 1 | 8.9929; 14.0574; 11.9242 90; 98.124; 90 | 1492.3 | Francisco Hueso-Ureña; Sonia B. Jiménez-Pulido; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas Synthesis and structural studies on metal nitrate complexes with 1,3-dimethyllumazine and 1,3,6,7-tetramethyllumazine: crystal structure of two new cobalt(II) and copper(II) three-dimensionally hydrogen-bonded complexes and a cadmium(II) complex with unusual geometry Inorganica Chimica Acta, 1998, 277, 103-110 |
| 1101125 | CIF | C20 H32 Cl2 Cu N8 O16 | P 1 21/c 1 | 8.7639; 13.7932; 14.7922 90; 116.016; 90 | 1606.9 | Francisco Hueso-Ureña; Sonia B. Jiménez-Pulido; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas Synthesis and structural studies on three-dimensionally hydrogen-bonded metal perchlorate complexes with 1,3-dimethyllumazine and 1,3,6,7-tetramethyllumazine. Crystal structure of diaqua-bis(1,3,6,7-tetramethyl- pteridine-2,4(1H,3H)-dione-O^4^,N^5^) copper(II) perchlorate dihydrate. Inorganica Chimica Acta, 1998, 268, 77-83 |
| 1101126 | CIF | C6 H9 N5 O3 | P 1 21/n 1 | 10.679; 5.814; 13.794 90; 97.31; 90 | 849.5 | M. Purificación Sánchez; M. Angustias Romero; Juan M. Salas; Diego J. Cárdenas; José Molina; Miguel Quirós Molecular orbital study of 8-azaxanthine derivatives and crystal structure of 1,3-dimethyl-8-azaxanthine monohydrate Journal of Molecular Structure, 1995, 344, 257-264 |
| 1101127 | CIF | C10 H12 Cl2 Hg N4 O2 | P -1 | 8.0064; 9.3736; 10.6279 71.414; 81.536; 70.904 | 713.59 | Francisco Hueso-Ureña; Sonia B. Jiménez-Pulido; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas Synthesis and structural studies on 1:1 metal complexes with 1,3-dimethyllumazine and 1,3,6,7-tetramethyllumazine. Crystal structure of two dichloro copper(II) and mercury(II) compounds and a polymeric chloro-nitrato bridged-mercury(II) complex. Polyhedron, 1998, 17, 3409-3418 |
| 1101128 | CIF | C10 H12 Cl Hg N5 O5 | P 1 21/n 1 | 13.315; 8.539; 13.932 90; 108.728; 90 | 1500.2 | Francisco Hueso-Ureña; Sonia B. Jiménez-Pulido; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas Synthesis and structural studies on 1:1 metal complexes with 1,3-dimethyllumazine and 1,3,6,7-tetramethyllumazine. Crystal structure of two dichloro copper(II) and mercury(II) compounds and a polymeric chloro-nitrato bridged-mercury(II) complex. Polyhedron, 1998, 17, 3409-3418 |
| 1101129 | CIF | C12 H14 N2 O3 | P 21 21 21 | 7.2294; 11.54; 14.67 90; 90; 90 | 1223.9 | Raj P. Sharma; Paramjit Singh; Kuldip K. Bhasin; Miguel Quirós; Juan M. Salas; J. F. Hansen Synthesis, spectroscopic and X-ray structural study of 4-p-methoxy-phenylimino-3-hydroxyimino-2-pentanone Journal of Chemical Cristallography, 1996, 26, 407-412 |
| 1101130 | CIF | C16 H16 Au Br4 N8 Na O4 | P b c a | 15.2488; 15.238; 21.563 90; 90; 90 | 5010.5 | Francisco Hueso-Ureña; Sonia B. Jiménez-Pulido; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas Gold(III)-pteridine compounds: synthesis, spectral, and X-ray diffraction stuides on new adducts between sodium tetrabromoaurate(III) and lumazine derivatives Journal of Chemical Cristallography, 1998, 28, 565-570 |
| 1101131 | CIF | C17 H30 F N3 O9 | P -1 | 9.5273; 9.972; 11.249 94.794; 100.304; 91.354 | 1047 | Iztok Turel; Peter Bukovec; Miguel Quirós Crystal structure of ciprofloxacin hexahydrate and its characterization International Journal of Pharmaceutics, 1997, 152, 59-65 |
| 1101133 | CIF | C18 H38 N8 Ni O18 | P -1 | 8.148; 9.104; 11.854 105.37; 95.31; 115.17 | 745.8 | Juan M. Salas; Miguel Quirós; M. Angustias Romero; M. Purificación Sánchez; Miguel A. Salas; Rosario Vilaplana Metal complexes of theophylline-7-acetic acid. Crystal structure of a nickel(II) compound containing non-coordinated theophylline-7-acetate ion Polyhedron, 1995, 14, 611-616 |
| 1101134 | CIF | C15 H31.75 Cl0.88 K0.88 N3 O8.38 Pd3 S3 | P 1 | 11.076; 11.045; 24.728 91.19; 94.5; 108.67 | 2853.7 | G. Cervantes; V. Moreno; E. Molins; Miguel Quirós Pd(II) and Pt(II) D-penicillamine complexes. Crystal structure of a tridentate D-penicillamine cluster of Pd(II) Polyhedron, 1998, 17, 3343-3350 |
| 1101135 | CIF | C22 H26 N14 O9 Pd Pt | P 1 21/c 1 | 13.752; 12.5658; 19.215 90; 118.08; 90 | 2929.5 | Jorge A. R. Navarro; M. Angustias Romero; Juan M. Salas; Miguel Quirós Kinetically and thermodynamically controlled formation of homo- and heterobinuclear platinum(II) and palladium(II) complexes supported by bidentate triazolopyrimidine ligands Inorganic Chemistry, 1997, 36, 3277-3283 |
| 1101136 | CIF | C28 H36 Ag4 N16 O13 S3 | P b c n | 16.778; 18.433; 13.403 90; 90; 90 | 4145 | Juan M. Salas; M. Angustias Romero; Abderrahman Rahmani; Miguel Quirós Dimeric complexes generated by the reaction of 5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine and silver sulphate: X-ray evidence of the coexistence of two different dimers in the same crystal Anales de Quimica, International Edition, 1996, 92, 249-254 |
| 1101137 | CIF | C14 H16 N8 O3 Pt S | P b c n | 14.207; 15.187; 17.165 90; 90; 90 | 3703.5 | Navarro, Jorge A. R.; Romero, M. Angustias; Salas, Juan M.; Quirós, Miguel; El Bahraoui, Jaouad; Molina, José Binuclear Platinum(II) Triazolopyrimidine Bridged Complexes. Preparation, Crystal Structure, NMR Spectroscopy, and ab Initio MO Investigation on the Bonding Nature of the Pt(II)···Pt(II) Interaction in the Model Compound {Pt2[NHCHN(C(CH2)(CH3))]4}} Inorganic Chemistry, 1996, 35, 7829-7835 |
| 1101138 | CIF | C16 H24 Cu N10 O14 | P 1 21/n 1 | 8.746; 13.874; 10.678 90; 92.64; 90 | 1294.4 | Francisco Hueso-Ureña; Sonia B. Jiménez-Pulido; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas A new three-dimensional, hydrogen-bonded metal-pteridine complex: synthesis, characterization and crystal structure of diaqua bis(1,3-dimethylpteridine-2,4(1H,3H)-dione-O^4^,N^5^) copper(II) nitrate dihydrate Polyhedron, 1997, 16, 607-612 |
| 1101141 | CIF | C5 H8 Cu N3 O5.5 | P 21 21 21 | 13.362; 13.566; 22.532 90; 90; 90 | 4084.4 | Francisco Hueso-Ureña; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas; René Faure; Gerardo Álvarez de Cienfuegos Spectral and magnetic properties, and biological activity of several coordination compounds of dinegative isoorotato and 2-thioisoorotato ligands. Crystal structure of the tetrameric complex [Cu~4~(isoorotato^2-^)~4~(NH~3~)~4(H~2~O)~2~].4H~2~O Inorganica Chimica Acta, 1996, 241, 61-69 |
| 1101142 | CIF | F2 Li5 O8 P2 V | P 1 21/c 1 | 6.3589; 10.7795; 10.3836 90; 90.019; 90 | 711.75 | Yin, S.-C.; Herle, P. Subramanya; Higgins, A.; Taylor, N. J.; Makimura, Y.; Nazar, L. F. Dimensional Reduction: Synthesis and Structure of Layered Li~5~M(PO~4~)~2~F~2~ (M = V, Cr) Chemistry of Materials, 2006, 18, 1745-1752 |
| 1101143 | CIF | C20 H17 Fe N S | P 1 21/n 1 | 7.721; 25.495; 8.566 90; 96.12; 90 | 1676.6 | no bibliography |
| 1101144 | CIF | H64 Mo12 Ni4 O66 | C 1 2/m 1 | 29.7553; 18.0498; 12.2258 90; 111.143; 90 | 6124.2 | Achim Müller; Christian Beugholt; Paul Kögerler; Hartmut Bögge; Sergey Bud'ko; Marshall Luban [MoV12O30(μ2-OH)10H2{NiII(H2O)3}4], a Highly Symmetrical ε-Keggin Unit Capped with Four NiII Centers: Synthesis and Magnetism Inorganic Chemistry, 2000, 39, 5176-5177 |
| 1101145 | CIF | C36 H74 Ga N27 O40 | P 1 21/c 1 | 12.8081; 22.7793; 21.5383 90; 93.278; 90 | 6273.7 | Gerasko, Olga A.; Mainicheva, Ekaterina A.; Naumov, Dmitry Yu.; Kuratieva, Natalia V.; Sokolov, Maxim N.; Fedin, Vladimir P. Synthesis and Crystal Structure of Unprecedented Oxo/Hydroxo-Bridged Polynuclear Gallium(III) Aqua Complexes Inorganic Chemistry, 2005, 44, 4133-4135 |
| 1101146 | CIF | Ga13 H96 N15 O105 | R -3 :H | 19.9915; 19.9915; 18.5028 90; 90; 120 | 6404.1 | Gerasko, Olga A.; Mainicheva, Ekaterina A.; Naumov, Dmitry Yu.; Kuratieva, Natalia V.; Sokolov, Maxim N.; Fedin, Vladimir P. Synthesis and Crystal Structure of Unprecedented Oxo/Hydroxo-Bridged Polynuclear Gallium(III) Aqua Complexes Inorganic Chemistry, 2005, 44, 4133-4135 |
| 1101147 | CIF | C123 H311 Ga32 N81 O193 | P -1 | 18.3313; 21.136; 23.2894 109.424; 101.987; 109.635 | 7478.8 | Gerasko, Olga A.; Mainicheva, Ekaterina A.; Naumov, Dmitry Yu.; Kuratieva, Natalia V.; Sokolov, Maxim N.; Fedin, Vladimir P. Synthesis and Crystal Structure of Unprecedented Oxo/Hydroxo-Bridged Polynuclear Gallium(III) Aqua Complexes Inorganic Chemistry, 2005, 44, 4133-4135 |
| 1101148 | CIF | B3 Ca4 Na O9 | A m a 2 | 10.68004; 11.28574; 6.48521 90; 90; 90 | 781.68 | Li Wu; Xia Long Chen; Yan Ping Xu; Yan Ping Sun Structure Determination and Relative Properties of Novel Non-centrosymmetric Borates MM'~4~(BO~3~)~3~ (M=Na, M'=Ca and M=K, M'=Ca, Sr) Inorganic Chemistry, 2006, 45, 3042-3047 |
| 1101149 | CIF | B3 Ca4 K O9 | A m a 2 | 10.63455; 11.51705; 6.51942 90; 90; 90 | 798.49 | Li Wu; Xia Long Chen; Yan Ping Xu; Yan Ping Sun Structure Determination and Relative Properties of Novel Noncentrosymmetric Borates MM'~4~(BO~3~)~3~ (M = Na, M' = Ca and M = K, M' = Ca, Sr) Inorganic Chemistry, 2006, 45, 3042-3047 |
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