Crystallography Open Database
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Searching journal of publication like 'Journal of Molecular Structure'
COD ID  |
Links | Formula |
Space group |
Cell parameters | Cell volume  |
Bibliography |
|---|---|---|---|---|---|---|
| 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 |
| 6000131 | CIF | C8 D10 | P 1 21/n 1 | 5.7337; 4.9485; 11.1385 90; 100.713; 90 | 310.53 | Ibberson, R. M.; David, W. I. F.; Parsons, S.; Prager, M.; Shankland, K. The crystal structures of m-xylene and p-xylene, C8D10, at 4.5 k Journal of Molecular Structure, 2000, 524, 121-128 |
| 1534810 | CIF | H7 Na5 O18 Se4 | P -1 | 5.959; 7.268; 9.958 102.5; 98.71; 100.36 | 405.976 | Baran, J.; Lis, T.; Starynowicz, P. Structure and vibrational spectra of Na5 H3 (Se O4)4 * 2(H2 O) crystal Journal of Molecular Structure, 1989, 213, 51-61 |
| 5000199 | CIF | C3 H6 O3 | P 21 21 21 | 5.4896; 8.4221; 9.3453 90; 90; 90 | 432.07 | Schouten, A.; Kanters, J. A.; van Krieken, J. Low temperature crystal structure and molecular conformation of L-(+)-lactic acid Journal of Molecular Structure, 1994, 323, 165-168 |
| 1536738 | CIF | Fe2 H8 O10 Se2 | P 1 21/n 1 | 6.5283; 8.8754; 7.6798 90; 98.82; 90 | 439.716 | Xiao, D.; An, H.; Wang, E.; Xu, L. Synthesis and structure of a novel three-dimensional metal selenite containing multidirectional intersecting double helical chains: [Fe2 (H2 O)4 (Se O3)2] Journal of Molecular Structure, 2005, 740, 249-253 |
| 1513054 | CIF | C6 H13 Cl2 N O | P -1 | 7.022; 8.236; 8.684 63.397; 85.326; 85.478 | 447.1 | 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 |
| 6000385 | CIF | C2 H7 O8 P2 Zr | P m m n | 5.3797; 6.6244; 13.0111 90; 90; 90 | 463.68 | Alberti, G.; Vivani, R.; Mascaros, S. M. First structural determination of layered and pillared organic derivatives of gamma-zirconium phosphate by X-ray powder diffraction data Journal of Molecular Structure, 1998, 470, 81-92 |
| 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 |
| 1513163 | CIF | C7 H6 O8 S | P -1 | 6.925; 6.967; 11.48 83.184; 74.285; 70.771 | 503.2 | Ivanova, Bojidarka; Spiteller, Michael NPhysical optical properties and crystal structures of organic 5-sulfosalicylatestheoretical and experimental study Journal of Molecular Structure, 2011, 1003, 1-9 |
| 1100989 | CIF | C3 H8 N2 O | P 1 21/c 1 | 8.315; 7.046; 9.099 90; 107.483; 90 | 508.4 | 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 |
| 1528524 | CIF | C4 H O4 Rb | P 1 21/c 1 | 4.1472; 15.8467; 8.0608 90; 96.25; 90 | 526.603 | Georgopoulos, S.L.; de Oliveira, L.F.C.; Diniz, R.; Rodrigues, B.L. Crystal structure and Raman spectra of rubidium hydrogen squarate Journal of Molecular Structure, 2005, 741, 61-66 |
| 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 |
| 1513165 | CIF | C9 H12 N2 O7 S | P -1 | 8.128; 8.591; 9.713 64.322; 86.766; 81.477 | 604.5 | Ivanova, Bojidarka; Spiteller, Michael NPhysical optical properties and crystal structures of organic 5-sulfosalicylatestheoretical and experimental study Journal of Molecular Structure, 2011, 1003, 1-9 |
| 1565987 | CIF HKL | C26 H32 N4 O8 Zn | P -1 | 8.4854; 8.9023; 10.1517 68.874; 65.755; 77.396 | 650 | Dissem, Nour; Ferhi, Najmeddine; Maris, Thierry; Duong, Adam Design, structural characterization and Hirshfeld surface analysis of Ni(II) and Zn(II) coordination polymers using mixed linker synthetic strategy based on tetratopic and macrocyclic N-donor ligands Journal of Molecular Structure, 2022, 1254, 132317 |
| 1520826 | CIF | H5 Na O8 P2 | P 1 21/c 1 | 8.464; 7.817; 10.337 90; 90.58; 90 | 683.893 | Baran, J.; Lis, T.; Drozd, M.; Ratajczak, H. Structure, phase transition and vibrational spectra of the Na H5 (P O4)2 and Na D5 (P O4)2 crystals Journal of Molecular Structure, 2000, 516, 185-202 |
| 1100992 | CIF | C5 H12 N2 O | P 1 21/c 1 | 4.6629; 5.7364; 25.863 90; 94.627; 90 | 689.5 | 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 |
| 1520827 | CIF | D5 Na O8 P2 | P 1 21/c 1 | 8.495; 7.854; 10.352 90; 90.67; 90 | 690.635 | Baran, J.; Lis, T.; Drozd, M.; Ratajczak, H. Structure, phase transition and vibrational spectra of the Na H5 (P O4)2 and Na D5 (P O4)2 crystals Journal of Molecular Structure, 2000, 516, 185-202 |
| 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 |
| 1549448 | CIF | C7 H6 N4 O2 | P 1 21/c 1 | 4.82; 9.782; 15.323 90; 93.407; 90 | 721.19 | Acuña-Cueva, Esther R.; Faure, René; Jiménez-Pulido, Sonia B.; Moreno-Carretero, Miguel N.; Peña-Ruiz, Tomás Study of the chelating capacity of nucleobase analogs with biological interest: XRD structural study and ab initio molecular orbital calculations on 1-methyl and 1,6,7-trimethyllumazine Journal of Molecular Structure, 2004, 697, 65 |
| 1565989 | CIF HKL | C32 H36 N4 Ni O8 | P -1 | 8.7501; 9.4842; 10.6727 70.743; 68.904; 80.513 | 779.04 | Dissem, Nour; Ferhi, Najmeddine; Maris, Thierry; Duong, Adam Design, structural characterization and Hirshfeld surface analysis of Ni(II) and Zn(II) coordination polymers using mixed linker synthetic strategy based on tetratopic and macrocyclic N-donor ligands Journal of Molecular Structure, 2022, 1254, 132317 |
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