Information card for entry 1508363

Structure parameters

• Formula: C94 H88 N24 Ni6 O19 S2
• Calculated formula: C94 H76 N24 Ni6 O19 S2
• Title of publication: An Unsymmetrical Trinickel Metal Complex with 4-Sulfobenzoate Axial Ligand: [Ni3(dpa)4(4-sb)(H2O)]x3H2O
• Authors of publication: Zheng, Xiao-Feng; Zhu, Long-Guan
• Journal of publication: Crystals
• Year of publication: 2011
• Journal volume: 1
• Journal issue: 3
• Pages of publication: 120 - 127
• a: 15.525 ± 0.0014 Å
• b: 22.703 ± 0.002 Å
• c: 31.993 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11276.4 ± 1.8 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1514
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.2034
• Weighted residual factors for all reflections included in the refinement: 0.26
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No