Information card for entry 4511339

Structure parameters

• Formula: C18 H22 Ni3 O20
• Calculated formula: C18 H10 Ni3 O20
• Title of publication: Formation of Strong OH2···-O2C Hydrogen Bonds in a Trinuclear Core-Based Nickel 1,3,5-Benzenetricarboxylate Coordination Polymer
• Authors of publication: Noro, Shin-ichiro; Akutagawa, Tomoyuki; Nakamura, Takayoshi
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 6
• Pages of publication: 1205
• a: 10.0511 ± 0.0006 Å
• b: 10.1076 ± 0.0007 Å
• c: 13.1964 ± 0.0007 Å
• α: 75.624 ± 0.003°
• β: 68.638 ± 0.002°
• γ: 65.382 ± 0.003°
• Cell volume: 1127.66 ± 0.12 ų
• Cell temperature: 353.1 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 significantly intense reflections: 0.0342
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No