Information card for entry 7700349

Structure parameters

• Formula: C46 H64 Co2 N16 Na2 O8
• Calculated formula: C46 H64 Co2 N16 Na2 O8
• SMILES: CC[O]1c2c3c(ccc2)C[NH]2CC(C)(C)C[NH]4Cc5cccc6[O](CC)[Na]781N=N#[N][Co]19%10([NH]%11Cc%12c%13[O]1[Na]1(N=N#[N][Co]24(N=N#N)([O]7c56)[O]38)([O]9c2c([O]1CC)cccc2C[NH]%10CC(C%11)(C)C)[O](c%13ccc%12)CC)N=N#N
• Title of publication: Methylene spacer regulated variation in molecular and crystalline architectures of cobalt(iii) complexes with reduced Schiff base ligands: a combined experimental and theoretical study.
• Authors of publication: Banerjee, Abhisek; Frontera, Antonio; Chattopadhyay, Shouvik
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 30
• Pages of publication: 11433 - 11447
• a: 9.3617 ± 0.0014 Å
• b: 27.208 ± 0.004 Å
• c: 10.4378 ± 0.0016 Å
• α: 90°
• β: 90.585 ± 0.004°
• γ: 90°
• Cell volume: 2658.5 ± 0.7 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0695
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.1798
• Weighted residual factors for all reflections included in the refinement: 0.1889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No