Crystallography Open Database
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Result: there are 96 entries in the selection
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Searching journal of publication like 'Journal of Molecular Structure'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 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 |
| 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 |
| 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 |
| 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 |
| 1500002 | CIF | C14 H22 Cd Cl4 N8 O2 | C 1 2/c 1 | 13.786; 9.4013; 17.6679 90; 98.672; 90 | 2263.7 | Carmen R. Maldonado; Miguel Quirós; Juan M. Salas Chlorocadmate(II) salts of two 1,2,4-triazolo[1,5-a]pyrimidine derivatives Journal of Molecular Structure, 2008, 882, 30-34 |
| 1500004 | CIF | C5 H5 Cd Cl3 N4 | P 1 21/c 1 | 11.7543; 12.6823; 6.6836 90; 96.71; 90 | 989.51 | Carmen R. Maldonado; Miguel Quirós; Juan M. Salas Chlorocadmate(II) salts of two 1,2,4-triazolo[1,5-a]pyrimidine derivatives Journal of Molecular Structure, 2008, 882, 30-34 |
| 1500005 | CIF | As3 Co2 H47 N12 O16 | P c c n | 27.4534; 13.1997; 14.468 90; 90; 90 | 5242.9 | Ritu Bala; Raj Pal Sharma; Rajni Sharma; Juan M. Salas; Miguel Quirós; William T.A. Harrison Cationic cobaltammines as anion receptors: Synthesis, characterization an X-ray structure of bis-(hexaamminecobalt(III)) tris-(hydrogenarsenate) tetrahydrate Journal of Molecular Structure, 2007, 828, 174-180 |
| 1500006 | CIF | C11 H21.5 Cl Co N11 O5.25 | C 1 2/c 1 | 21.9843; 8.7959; 23.0121 90; 116.426; 90 | 3984.9 | Rajni Sharma; Raj Pal Sharma; Paloth Venugopalan; Miguel Quirós; Juan M. Salas; J. Yu; Y. Du Capture of aromatic carboxylate anion through second sphere coordination: Topological complementarity of [cis-Co(en)~2~(N~3~)~2~]^+^ and C~7~H~3~ClNO~4~^-^ ions Journal of Molecular Structure, 2008, 885, 7-14 |
| 1500007 | CIF | C8 H32 Br4 Cd Cl4 Co2 N8 | P b c a | 18.6201; 12.0872; 24.0877 90; 90; 90 | 5421.3 | Raj Pal Sharma; Rajni Sharma; Ritu Bala; Juan M. Salas; Miguel Quirós Second sphere coordination complexes via hydrogen bonding: Synthesis, spectroscopic characterisation of [trans-Co(en)~2~Cl~2~]CdX~4~ (X = Br or I) and single crystal X-ray structure determination of [trans-Co(en)~2~Cl~2~]CdBr~4~ Journal of Molecular Structure, 2006, 794, 341-347 |
| 1500009 | CIF | C8 H26 Co N7 O8 | P 1 21/c 1 | 10.2635; 9.048; 9.752 90; 104.493; 90 | 876.8 | Raj Pal Sharma; Bal Krishan Vermani; Rajni Sharma; Ritu Bala; Dip Singh Gill; Juan M. Salas; Miguel Quirós Synthesis, spectroscopic characterization and X-ray structure determinations and packing of tetralkylammonium trans-diamminetetranitrocobaltate(III) complex salts where alkyl = methyl or ehtyl Journal of Molecular Structure, 2006, 784, 222-227 |
| 1500010 | CIF | C4 H18 Co N7 O8 | P 1 21/m 1 | 6.1926; 18.248; 6.2335 90; 90.078; 90 | 704.41 | Raj Pal Sharma; Bal Krishan Vermani; Rajni Sharma; Ritu Bala; Dip Singh Gill; Juan M. Salas; Miguel Quirós Synthesis, spectroscopic characterization and X-ray structure determinations and packing of tetralkylammonium trans-diamminetetranitrocobaltate(III) complex salts where alkyl = methyl or ehtyl Journal of Molecular Structure, 2006, 784, 222-227 |
| 1511772 | CIF | C14 H16 Ag2 N10 O6 | P -1 | 5.1295; 9.6009; 10.332 103.73; 99.14; 97.67 | 480.18 | M. Angustias Romero; Juan M. Salas; Miguel Quirós; M. Purificación Sánchez; José Molina; Jaouad El Bahraoui; René Faure Structural and ab initio Studies of Ag-Ag Bonding in the Silver(I) Dimer Bis-μ-(5,7-Dimethyl[1,2,4]triazolo[1,5-a]pyrimidine)dinitrato Disilver(I) Journal of Molecular Structure, 1995, 354, 189-195 |
| 1511775 | CIF | C5 H7 N4 Na O4 | P 1 21/c 1 | 7.239; 15.209; 7.56 90; 98.89; 90 | 822.3 | Sonia Orihuela; M. Purificación Sánchez; Miguel Quirós; José Molina; René Faure 4,5,6,7-Tetrahydro-5,7-dioxo-[1,2,4]triazolo-[1,5-a]pyrimidine: Characterisation and Theoretical Study Journal of Molecular Structure, 1997, 415, 285-292 |
| 1512984 | CIF | C22 H26 N4 O4 | P -1 | 7.375; 8.391; 9.373 93.882; 107.122; 103.957 | 531.9 | Amal Cherian Kathalikkattil; Subin Damodaran; Kamal Kumar Bisht; Eringathodi Suresh Hydrogen bonded binary molecular adducts derived from exobidentate N-donor ligand with dicarboxylic acids: Acid⋯imidazole hydrogen-bonding interactions in neutral and ionic heterosynthons Journal of Molecular Structure, 2011, 985, 361-370 |
| 1512985 | CIF | C19 H21 N2 O7 | P 1 21/n 1 | 16.026; 7.019; 16.492 90; 96.453; 90 | 1843.4 | Amal Cherian Kathalikkattil; Subin Damodaran; Kamal Kumar Bisht; Eringathodi Suresh Hydrogen bonded binary molecular adducts derived from exobidentate N-donor ligand with dicarboxylic acids: Acid⋯imidazole hydrogen-bonding interactions in neutral and ionic heterosynthons Journal of Molecular Structure, 2011, 985, 361-370 |
| 1512986 | CIF | C24 H26 N8 O10 | P 1 21/n 1 | 4.1521; 20.659; 15.696 90; 95.218; 90 | 1340.8 | Amal Cherian Kathalikkattil; Subin Damodaran; Kamal Kumar Bisht; Eringathodi Suresh Hydrogen bonded binary molecular adducts derived from exobidentate N-donor ligand with dicarboxylic acids: Acid⋯imidazole hydrogen-bonding interactions in neutral and ionic heterosynthons Journal of Molecular Structure, 2011, 985, 361-370 |
| 1512987 | CIF | C19 H20 N6 O5 | P -1 | 7.4847; 11.6703; 12.2231 112.355; 100.143; 97.136 | 950.3 | Amal Cherian Kathalikkattil; Subin Damodaran; Kamal Kumar Bisht; Eringathodi Suresh Hydrogen bonded binary molecular adducts derived from exobidentate N-donor ligand with dicarboxylic acids: Acid⋯imidazole hydrogen-bonding interactions in neutral and ionic heterosynthons Journal of Molecular Structure, 2011, 985, 361-370 |
| 1512990 | CIF | C20 H22 Cl4 Co N2 O3 | P -1 | 8.1498; 8.569; 16.9722 97.46; 93.936; 101.587 | 1145.79 | Kamal Kumar Bisht; Amal Cherian Kathalikkattil; Suresh Eringathodi Exploring supramolecular interactions between inorganic tetrachlorometallate and organic pyridinium dication: Synthesis, characterization and structural investigations Journal of Molecular Structure, 2012, 1013, 102-110 |
| 1512991 | CIF | C20 H22 Cl4 N2 O3 Zn | P -1 | 8.1684; 8.6173; 17.17 97.796; 93.831; 102.295 | 1164.2 | Kamal Kumar Bisht; Amal Cherian Kathalikkattil; Suresh Eringathodi Exploring supramolecular interactions between inorganic tetrachlorometallate and organic pyridinium dication: Synthesis, characterization and structural investigations Journal of Molecular Structure, 2012, 1013, 102-110 |
| 1512992 | CIF | C20 H22 Cl4 Cu N2 O2 | P -1 | 8.077; 8.6476; 17.209 99.131; 101.853; 98.832 | 1139.7 | Kamal Kumar Bisht; Amal Cherian Kathalikkattil; Suresh Eringathodi Exploring supramolecular interactions between inorganic tetrachlorometallate and organic pyridinium dication: Synthesis, characterization and structural investigations Journal of Molecular Structure, 2012, 1013, 102-110 |
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