Information card for entry 4001415

Structure parameters

• Common name: CoEnOx-BPDS-Hdmapy
• Formula: C74 H144 Co4 N20 O50 S6
• Calculated formula: C74 H106.028 Co4 N20 O50 S6
• 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: 11.7217 ± 0.0008 Å
• b: 18.1519 ± 0.0013 Å
• c: 26.4208 ± 0.0019 Å
• α: 70.693 ± 0.003°
• β: 89.401 ± 0.003°
• γ: 87.117 ± 0.003°
• Cell volume: 5298.6 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.109
• 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