Information card for entry 7207409

Structure parameters

• Formula: C382 H416 Cl42 N48 Ni8 O30
• Calculated formula: C382 H356 Cl42 N48 Ni8 O30
• Title of publication: Bucky-blocks: templating a coordination network with C60
• Authors of publication: Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Zampese, Jennifer A.
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 5
• Pages of publication: 1770
• a: 24.817 ± 0.005 Å
• b: 25.609 ± 0.005 Å
• c: 16.634 ± 0.003 Å
• α: 90°
• β: 90.25 ± 0.03°
• γ: 90°
• Cell volume: 10571 ± 4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1186
• Residual factor for significantly intense reflections: 0.0887
• Weighted residual factors for significantly intense reflections: 0.1981
• Weighted residual factors for all reflections included in the refinement: 0.2166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No