Information card for entry 4001411

Structure parameters

• Common name: CoEnOx-BPDS-DMF
• Formula: C30 H54 Co2 N10 O16 S2
• Calculated formula: C30 H54 Co2 N10 O16 S2
• SMILES: [O-]S(=O)(=O)c1ccc(cc1)c1ccc(cc1)S(=O)(=O)[O-].O=C1O[Co]23(OC1=O)([NH2]CC[NH2]3)[NH2]CC[NH2]2.O=C1O[Co]23(OC1=O)([NH2]CC[NH2]3)[NH2]CC[NH2]2.O=CN(C)C.O=CN(C)C
• Title of publication: Hydrogen-Bonded Host Frameworks of Cationic Metal Complexes and Anionic Disulfonate Linkers: Effects of the Guest Molecules and the Charge of the Metal Complex
• Authors of publication: Wang, Xin-Yi; Sevov, Slavi C.
• Journal of publication: Chemistry of Materials
• Year of publication: 2007
• Journal volume: 19
• Journal issue: 20
• Pages of publication: 4906
• a: 6.3228 ± 0.0001 Å
• b: 11.9946 ± 0.0002 Å
• c: 26.4024 ± 0.0004 Å
• α: 90°
• β: 91.402 ± 0.001°
• γ: 90°
• Cell volume: 2001.74 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0305
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0692
• Weighted residual factors for all reflections included in the refinement: 0.0707
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No