Crystallography Open Database
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Result: there are 95 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 |
|---|---|---|---|---|---|---|
| 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 |
| 1532645 | CIF | As6 H24 O53 V15 Zn2 | R 3 :H | 12.0601; 12.0601; 33.97 90; 90; 120 | 4278.86 | Cui Xiaobing; Xu Jiqing; Ding Lan; Ding Hong; Yang Guoyu; Ye Ling Hydrothermal synthesis, crystal structure and characterization of (Zn (H2 O)4)2 (H2 As6 V15 O42 (H2 O)) * 2(H2 O) Journal of Molecular Structure, 2003, 660, 131-137 |
| 1521678 | CIF | B5 H9 | P 41 | 10.201; 10.201; 9.996 90; 90; 90 | 1040.19 | Nordman, C.E. The crystal structure of B5 H9 below the 136.7 K phase transition Journal of Molecular Structure, 1999, 485, 299-303 |
| 1533326 | CIF | B8 Ca H24 O26 Rb2 | P 21 21 21 | 11.536; 12.639; 16.69 90; 90; 90 | 2433.46 | Zhu Lixia; Yue Tao; Gao Shiyang; Hu Mancheng; Yu Kaibei Crystal structure and characterization of Rb2 Ca (B4 O5 (O H)4)2 * 8(H2 O) Journal of Molecular Structure, 2003, 658, 215-222 |
| 1536001 | CIF | Br2 Cu2 P8 Se3 | P b c m | 8.761; 11.957; 13.858 90; 90; 90 | 1451.7 | Nilges, S.; Nilges, T.; Pfitzner, A.; Haeuseler, H. (Cu Br)2 P8 Se3: preparation, structural, and vibrational sprectroscopic characterization of an adduct of P8 Se3 cages to Cu2 Br2 rhombs Journal of Molecular Structure, 2004, 706, 89-94 |
| 5000156 | CIF | C H6 N4 O3 | C 1 m 1 | 12.706; 7.26; 3.6077 90; 121.01; 90 | 285.23 | Katrusiak, A.; Szafrański, M. Structural phase transitions in guanidinium nitrate Journal of Molecular Structure, 1996, 378, 205-223 |
| 1101002 | CIF | C10 H22 N2 O | P 1 21/c 1 | 17.774; 7.4623; 9.264 90; 103.726; 90 | 1193.7 | 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 |
| 1544272 | CIF HKL | C11 H20 Co N11 O3 S | P -1 | 7.3164; 11.4668; 11.9873 110.369; 100.918; 97.158 | 905.69 | Rajni Sharma; Raj Pal Sharma; Konstantin Karaghiosoff; Thomas M. Klapoetke; Miguel Quirós; Juan M. Salas Cationic Cobaltammines as Anion Receptors: Synthesis, Spectroscopic and X-ray Structural Study of Biologically Important Saccharinate Salt, [cis-Co(en)~2~(N~3~)~2~](C~7~H~4~NSO~3~) Journal of Molecular Structure, 2009, 930, 88-94 |
| 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 |
| 1101004 | CIF | C11 H24 N2 O | P 1 21/c 1 | 18.336; 7.5383; 9.2943 90; 94.584; 90 | 1280.5 | 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 |
| 1101005 | CIF | C11 H24 N2 O | P 1 21/c 1 | 18.007; 7.5233; 9.2731 90; 96.371; 90 | 1248.5 | 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 |
| 1101007 | CIF | C12 H26 N2 O | P 1 21/c 1 | 19.617; 7.5941; 9.3394 90; 97.54; 90 | 1379.3 | 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 |
| 1513059 | CIF | C13 H18 Cl N O6 S | P -1 | 8.644; 9.085; 11.673 104.782; 104.882; 105.085 | 802.9 | Ivanova, Bojidarka; Spiteller, Michael Factors stabilizing the gas-phase ionic species of crystals of organic salts Experimental and theoretical study Journal of Molecular Structure, 2013, 1036, 226 |
| 1101008 | CIF | C13 H28 N2 O | C 1 2/c 1 | 42.43; 7.5982; 9.295 90; 95.624; 90 | 2982.3 | 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 |
| 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 |
| 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 |
| 1513057 | CIF | C14 H20 Cl N O6 S | P b c a | 13.526; 15.045; 16.533 90; 90; 90 | 3364.4 | Ivanova, Bojidarka; Spiteller, Michael Factors stabilizing the gas-phase ionic species of crystals of organic salts Experimental and theoretical study Journal of Molecular Structure, 2013, 1036, 226 |
| 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 |
| 1529502 | CIF HKL | C14 H22 N2 O3 S | P 21 21 21 | 9.7454; 11.2225; 13.9171 90; 90; 90 | 1522.08 | N.N. Golovnev; M.S. Molokeev; I.V. Sterkhova; Yu.V. Goryunov; V.V. Atuchin New class of bicyclic compounds derived from thiobarbituric acid with representative compound 1,3-diethyl-7-hydroxy-5,5,7-trimethyl- 2-thioxo-1,2,3,5,6,7-hexahydro-4H-pyrano[2,3-d]pyrimidin-4-one. Preparation, crystal structure, mass spectrometry and IR spectroscopy. Journal of Molecular Structure, 2015, 1102, 101-107 |
| 1513075 | CIF | C14 H23 N4 O6 | P c a 21 | 10.466; 18.241; 8.265 90; 90; 90 | 1577.9 | Ivanova, Bojidarka Solid-state Raman spectra of non-centrosymmetric crystals theoretical vs. experimental study towards an application in THz-regime Journal of Molecular Structure, 2012, 1016, 47 |
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