Information card for entry 7224505

Structure parameters

• Formula: C24 H32 Co N2 O8
• Calculated formula: C24 H32 Co N2 O8
• SMILES: [O]12[Co]34([OH2])([OH2])[N](CC[O]4CC[N]3(CC2)Cc2ccc(cc2)C(=O)[O-])(CC1)Cc1ccc(cc1)C(=O)[O-]
• Title of publication: A hydrogen bonded Co(ii) coordination complex and a triply interpenetrating 3-D manganese(ii) coordination polymer from diaza crown ether with dibenzoate sidearms
• Authors of publication: Liao, Liang; Ingram, Conrad W.; Bacsa, John; Zhang, Z. John; Dinadayalane, Tandabany
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 14
• Pages of publication: 2425
• a: 9.7472 ± 0.0009 Å
• b: 22.777 ± 0.002 Å
• c: 7.0903 ± 0.0007 Å
• α: 90°
• β: 131.453 ± 0.006°
• γ: 90°
• Cell volume: 1179.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 8
• Hermann-Mauguin space group symbol: C 1 m 1
• Hall space group symbol: C -2y
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No