Information card for entry 7004109

Structure parameters

• Formula: C45 H39 Br Co N8 O6
• Calculated formula: C45 H39 Br Co N8 O6
• 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: 11.355 ± 0.002 Å
• b: 9.9917 ± 0.0017 Å
• c: 37.908 ± 0.007 Å
• α: 90°
• β: 94.025 ± 0.005°
• γ: 90°
• Cell volume: 4290.3 ± 1.3 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1701
• Residual factor for significantly intense reflections: 0.0863
• Weighted residual factors for significantly intense reflections: 0.1743
• Weighted residual factors for all reflections included in the refinement: 0.222
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No