Information card for entry 7215503

Structure parameters

• Formula: C39 H38 Co N4 O11
• Calculated formula: C39 H38 Co N4 O11
• SMILES: [Co]12([n]3cccc4c3c3[n]1cccc3cc4)([n]1cccc3c1c1[n]2cccc1cc3)(OC(=O)c1c(OCc2ccc(C(=O)[O-])cc2)cccc1)[OH2].O.O.O.O.O
• Title of publication: Synthesis of a series of coordination polymers based on mixed ligands to tune the structural dimension
• Authors of publication: Cao, Xinyu; Mu, Bao; Huang, Rudan
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 23
• Pages of publication: 5093
• a: 10.7055 ± 0.0007 Å
• b: 12.564 ± 0.0009 Å
• c: 15.7296 ± 0.001 Å
• α: 113.095 ± 0.002°
• β: 98.85 ± 0.001°
• γ: 102.229 ± 0.001°
• Cell volume: 1834.7 ± 0.2 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: 0.0918
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1455
• Weighted residual factors for all reflections included in the refinement: 0.1686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No