Information card for entry 4511337

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: 10.0453 ± 0.0004 Å
• b: 10.0964 ± 0.0005 Å
• c: 13.1545 ± 0.0006 Å
• α: 75.7238 ± 0.0015°
• β: 68.5836 ± 0.0012°
• γ: 65.4318 ± 0.0012°
• Cell volume: 1122.48 ± 0.09 ų
• Cell temperature: 253.1 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: 0.036
• Weighted residual factors for all reflections included in the refinement: 0.1241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.244
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No