Information card for entry 4308485

Structure parameters

• Formula: C68 H48 N4 Ni2 O12
• Calculated formula: C68 H48 N4 Ni2 O12
• Title of publication: Diversification of Hydrothermal Reaction Products Induced by Naphthalene Molecules
• Authors of publication: Eun Young Choi; Young-Uk Kwon
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 538 - 545
• a: 11.248 ± 0.002 Å
• b: 16.801 ± 0.004 Å
• c: 14.945 ± 0.003 Å
• α: 90°
• β: 103.732 ± 0.004°
• γ: 90°
• Cell volume: 2743.5 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.1361
• Residual factor for significantly intense reflections: 0.103
• Weighted residual factors for significantly intense reflections: 0.2684
• Weighted residual factors for all reflections included in the refinement: 0.2862
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No