Information card for entry 7004108

Structure parameters

• Formula: C54 H43 Br Co2 N8 O12
• Calculated formula: C54 H43 Br Co2 N8 O12
• Title of publication: Hydrogen-bond-directing effect in the ionothermal synthesis of metal coordination polymers
• Authors of publication: Lin, Zhuojia; Li, Yang; Slawin, Alexandra M. Z.; Morris, Russell E.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 30
• Pages of publication: 3989 - 3994
• a: 9.967 ± 0.0012 Å
• b: 35.17 ± 0.003 Å
• c: 15.151 ± 0.003 Å
• α: 90°
• β: 107.658 ± 0.002°
• γ: 90°
• Cell volume: 5060.8 ± 1.3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0735
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 0.918
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No