Information card for entry 7039575

Structure parameters

• Formula: C44 H64 Cl2 Co N4 O5
• Calculated formula: C44 H64 Cl2 Co N4 O5
• SMILES: Cc1cc(C)cc(c1C[NH]1[Co]2([NH](Cc3c(cc(C)cc3C)C)CC[NH]2Cc2c(cc(cc2C)C)C)([NH](CC1)Cc1c(cc(cc1C)C)C)(Cl)Cl)C.O.O.O.O.O
• Title of publication: Effect of ligand denticity on the nitric oxide reactivity of cobalt(ii) complexes.
• Authors of publication: Deka, Hemanta; Ghosh, Somnath; Saha, Soumen; Gogoi, Kuldeep; Mondal, Biplab
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 27
• Pages of publication: 10979 - 10988
• a: 14.2041 ± 0.0006 Å
• b: 10.6502 ± 0.0004 Å
• c: 16.5585 ± 0.0006 Å
• α: 90°
• β: 95.337 ± 0.004°
• γ: 90°
• Cell volume: 2494.05 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0832
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.2062
• Weighted residual factors for all reflections included in the refinement: 0.2232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No