Crystallography Open Database
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Result: there are 2004 entries in the selection
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Searching journal of publication like 'CrystEngComm / RSC' volume of publication is 18
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 7226928 | CIF | C17 H12 F N3 O2 | P 1 21/n 1 | 6.3976; 20.616; 10.876 90; 98.126; 90 | 1420.1 | Perera, M. D.; Desper, J.; Sinha, A. S.; Aakeröy, C. B. Impact and importance of electrostatic potential calculations for predicting structural patterns of hydrogen and halogen bonding CrystEngComm, 2016, 18, 8631 |
| 7226929 | CIF | C25 H22 N6 O4 | F d d 2 | 28.065; 36.966; 4.2708 90; 90; 90 | 4431 | Perera, M. D.; Desper, J.; Sinha, A. S.; Aakeröy, C. B. Impact and importance of electrostatic potential calculations for predicting structural patterns of hydrogen and halogen bonding CrystEngComm, 2016, 18, 8631 |
| 7226930 | CIF | C27 H15 F4 I N6 O2 | P 1 | 6.658; 9.8155; 10.4663 65.256; 79.993; 84.833 | 611.63 | Perera, M. D.; Desper, J.; Sinha, A. S.; Aakeröy, C. B. Impact and importance of electrostatic potential calculations for predicting structural patterns of hydrogen and halogen bonding CrystEngComm, 2016, 18, 8631 |
| 7226931 | CIF | C12 H5 F3 I3 N3 | P 1 21/n 1 | 9.3698; 13.7351; 12.2408 90; 90.6496; 90 | 1575.23 | Perera, M. D.; Desper, J.; Sinha, A. S.; Aakeröy, C. B. Impact and importance of electrostatic potential calculations for predicting structural patterns of hydrogen and halogen bonding CrystEngComm, 2016, 18, 8631 |
| 7226932 | CIF | C12 H5 F4 I2 N3 | P 1 21 1 | 8.1237; 7.1542; 12.318 90; 92.502; 90 | 715.2 | Perera, M. D.; Desper, J.; Sinha, A. S.; Aakeröy, C. B. Impact and importance of electrostatic potential calculations for predicting structural patterns of hydrogen and halogen bonding CrystEngComm, 2016, 18, 8631 |
| 7226941 | CIF | C10 H14 Cu N6 O S2 | C 1 2/c 1 | 18.855; 5.622; 16.886 90; 121.342; 90 | 1528.8 | Świtlicka, A.; Czerwińska, K.; Machura, B.; Penkala, M.; Bieńko, A.; Bieńko, D.; Zierkiewicz, W. Thiocyanate copper complexes with pyrazole-derived ligands ‒ synthesis, crystal structures, DFT calculations and magnetic properties CrystEngComm, 2016, 18, 9042 |
| 7226942 | CIF | C38 H56 Cu3 N18 O2 S6 | P -1 | 9.8235; 10.5552; 15.0423 77.423; 79.796; 63.616 | 1357.95 | Świtlicka, A.; Czerwińska, K.; Machura, B.; Penkala, M.; Bieńko, A.; Bieńko, D.; Zierkiewicz, W. Thiocyanate copper complexes with pyrazole-derived ligands ‒ synthesis, crystal structures, DFT calculations and magnetic properties CrystEngComm, 2016, 18, 9042 |
| 7226943 | CIF | C25 H32 Cu2 N11 S3 | P 1 21/c 1 | 20.3583; 7.8165; 21.6675 90; 116.1; 90 | 3096.4 | Świtlicka, A.; Czerwińska, K.; Machura, B.; Penkala, M.; Bieńko, A.; Bieńko, D.; Zierkiewicz, W. Thiocyanate copper complexes with pyrazole-derived ligands ‒ synthesis, crystal structures, DFT calculations and magnetic properties CrystEngComm, 2016, 18, 9042 |
| 7226944 | CIF | C13 H9 Cu N7 S2 | P 1 21/c 1 | 12.7902; 8.3391; 15.9931 90; 113.001; 90 | 1570.19 | Świtlicka, A.; Czerwińska, K.; Machura, B.; Penkala, M.; Bieńko, A.; Bieńko, D.; Zierkiewicz, W. Thiocyanate copper complexes with pyrazole-derived ligands ‒ synthesis, crystal structures, DFT calculations and magnetic properties CrystEngComm, 2016, 18, 9042 |
| 7226969 | CIF | C152 H142 N16 O47 S8 | P -1 | 18; 18.933; 28.187 76.131; 71.402; 86.574 | 8837.5 | Leśniewska, Barbara; Coleman, Anthony W.; Tauran, Yannick; Perret, Florent; Suwińska, Kinga Pseudopolymorphs ‒ a variety of self-organization of para-sulphonato-calix[8]arene and phenanthroline in the solid state CrystEngComm, 2016, 18, 8858 |
| 7226970 | CIF | C180 H182 N20 O55 S8 | C 1 2/c 1 | 34.8241; 11.9401; 41.747 90; 98.01; 90 | 17189.2 | Leśniewska, Barbara; Coleman, Anthony W.; Tauran, Yannick; Perret, Florent; Suwińska, Kinga Pseudopolymorphs ‒ a variety of self-organization of para-sulphonato-calix[8]arene and phenanthroline in the solid state CrystEngComm, 2016, 18, 8858 |
| 7226971 | CIF | C388 H375 N46 O112 S16 | P -1 | 14.8749; 20.9698; 30.2225 97.318; 99.924; 95.529 | 9142.6 | Leśniewska, Barbara; Coleman, Anthony W.; Tauran, Yannick; Perret, Florent; Suwińska, Kinga Pseudopolymorphs ‒ a variety of self-organization of para-sulphonato-calix[8]arene and phenanthroline in the solid state CrystEngComm, 2016, 18, 8858 |
| 7226972 | CIF | C78 H84 Mg4 N2 O27 | P 1 21/c 1 | 16.746; 34.094; 19.114 90; 104.321; 90 | 10574 | Vishnoi, Pratap; Kaleeswaran, D.; Kalita, Alok Ch.; Murugavel, Ramaswamy Dependence of the SBU length on the size of metal ions in alkaline earth MOFs derived from a flexible C3-symmetric tricarboxylic acid CrystEngComm, 2016, 18, 9130 |
| 7226973 | CIF | C72 H79 Ca4 Cl N2 O26 | P -1 | 15.547; 20.203; 20.451 118.19; 95.92; 103.52 | 5331 | Vishnoi, Pratap; Kaleeswaran, D.; Kalita, Alok Ch.; Murugavel, Ramaswamy Dependence of the SBU length on the size of metal ions in alkaline earth MOFs derived from a flexible C3-symmetric tricarboxylic acid CrystEngComm, 2016, 18, 9130 |
| 7226974 | CIF | C92 H114 N6 O28 Sr4 | P -1 | 16.331; 19.681; 21.132 59.93; 71.32; 83.87 | 5556 | Vishnoi, Pratap; Kaleeswaran, D.; Kalita, Alok Ch.; Murugavel, Ramaswamy Dependence of the SBU length on the size of metal ions in alkaline earth MOFs derived from a flexible C3-symmetric tricarboxylic acid CrystEngComm, 2016, 18, 9130 |
| 7226975 | CIF | C188 H234 Ba9 N20 O68 | P -1 | 19.519; 19.943; 32.106 76.687; 83.425; 61.034 | 10641 | Vishnoi, Pratap; Kaleeswaran, D.; Kalita, Alok Ch.; Murugavel, Ramaswamy Dependence of the SBU length on the size of metal ions in alkaline earth MOFs derived from a flexible C3-symmetric tricarboxylic acid CrystEngComm, 2016, 18, 9130 |
| 7226987 | CIF | C21 H18 N2 O5 | P -1 | 6.9223; 8.2857; 16.275 79.871; 78.545; 82.818 | 896.7 | Xu, Jia; Huang, Yuting; Ruan, Sida; Chi, Zongliang; Qin, Kunming; Cai, Baochang; Cai, Ting Cocrystals of isoliquiritigenin with enhanced pharmacokinetic performance CrystEngComm, 2016, 18, 8776 |
| 7226988 | CIF | C21 H18 N2 O5 | P 1 2/n 1 | 21.909; 3.7898; 23.918 90; 114.968; 90 | 1800.3 | Xu, Jia; Huang, Yuting; Ruan, Sida; Chi, Zongliang; Qin, Kunming; Cai, Baochang; Cai, Ting Cocrystals of isoliquiritigenin with enhanced pharmacokinetic performance CrystEngComm, 2016, 18, 8776 |
| 7226989 | CIF | C24 H24 N2 O6 S2 | P 1 21/n 1 | 5.8589; 20.01; 10.2562 90; 100.97; 90 | 1180.43 | Pop, Flavia; Lewis, William; Amabilino, David B. Solid state supramolecular structure of diketopyrrolopyrrole chromophores: correlating stacking geometry with visible light absorption CrystEngComm, 2016, 18, 8933 |
| 7226990 | CIF | C22 H20 N2 O6 S2 | P c a 21 | 15.3622; 5.6904; 24.0819 90; 90; 90 | 2105.17 | Pop, Flavia; Lewis, William; Amabilino, David B. Solid state supramolecular structure of diketopyrrolopyrrole chromophores: correlating stacking geometry with visible light absorption CrystEngComm, 2016, 18, 8933 |
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