Information card for entry 7204102

Structure parameters

• Formula: C18 H38 Ni3 O21
• Calculated formula: C18 H20 Ni2.5 O21
• Title of publication: Hydrothermal synthesis and characterization of a new 3D-network containing the versatile cis,cis-cyclohexane-1,3,5-tricarboxylate
• Authors of publication: Kumagai, Hitoshi; Akita-Tanaka, Motoko; Inoue, Katsuya; Kurmoo, Mohamedally
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2001
• Journal volume: 11
• Journal issue: 9
• Pages of publication: 2146
• a: 7.694 ± 0.001 Å
• b: 9.21 ± 0.001 Å
• c: 10.764 ± 0.002 Å
• α: 108.598 ± 0.003°
• β: 92.3 ± 0.003°
• γ: 109.814 ± 0.003°
• Cell volume: 670.66 ± 0.17 ų
• Cell temperature: 288.2 K
• Ambient diffraction temperature: 288.2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for all reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.0605
• Goodness-of-fit parameter for all reflections: 4.113
• Goodness-of-fit parameter for significantly intense reflections: 4.378
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No