Information card for entry 7207053

Structure parameters

• Formula: C39 H36 Co2 N6 O12.5
• Calculated formula: C39 H31 Co2 N6 O12.5
• Title of publication: A series of coordination polymers based on 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid and structurally related N-donor ligands: syntheses, structures and properties
• Authors of publication: Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Bo; Yang, Jin
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 1
• Pages of publication: 286
• a: 12.6861 ± 0.0008 Å
• b: 13.3872 ± 0.001 Å
• c: 13.4602 ± 0.0008 Å
• α: 91.588 ± 0.005°
• β: 100.888 ± 0.005°
• γ: 115.561 ± 0.007°
• Cell volume: 2009.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.13
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.0613
• Weighted residual factors for all reflections included in the refinement: 0.0663
• Goodness-of-fit parameter for all reflections included in the refinement: 0.797
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No