Information card for entry 2014089

Structure parameters

• Chemical name: trans-bis(1-methylimidazole)[(R)-N,N'-bis(alpha-phenylsalicylidene)-1,2- propanediaminato]cobalt(III) perchlorate
• Formula: C37 H36 Cl Co N6 O6
• Calculated formula: C37 H36 Cl Co N6 O6
• SMILES: [Co]123(Oc4ccccc4C(=[N]2[C@@H](C[N]3=C(c2c(O1)cccc2)c1ccccc1)C)c1ccccc1)([n]1cn(cc1)C)[n]1cn(cc1)C.Cl(=O)(=O)(=O)[O-]
• Title of publication: An unexpected chelate conformation in <i>trans</i>-[(<i>R</i>)-<i>N</i>,<i>N</i>'-bis(α-phenylsalicylidene)propane-1,2-diaminato(2–)]bis(1-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)cobalt(III) perchlorate
• Authors of publication: Hirotsu, Masakazu; Kojima, Masaaki; Nakajima, Kiyohiko; Kashino, Setsuo; Yoshikawa, Yuzo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 9
• Pages of publication: m431 - m432
• a: 14.334 ± 0.002 Å
• b: 17.766 ± 0.003 Å
• c: 13.849 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3526.8 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0712
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for all reflections included in the refinement: 0.1152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes