Information card for entry 4502651

Structure parameters

• Formula: C50 H38 N6 Ni O18
• Calculated formula: C50 H38 N6 Ni O18
• SMILES: [Ni]123([n]4ccccc4c4cccc[n]14)([n]1ccccc1c1cccc[n]21)[n]1ccccc1c1cccc[n]31.c1(c(cc(c(c1)C(=O)O)C(=O)[O-])C(=O)[O-])C(=O)O.c1(c(cc(c(c1)C(=O)O)C(=O)O)C(=O)O)C(=O)O.O.O
• Title of publication: Visible Concentration-Sensitive Structural Transformation
• Authors of publication: Sun, Ming-Ling; Zhang, Lei; Lin, Qi-Pu; Zhang, Jian; Yao, Yuan-Gen
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 4
• Pages of publication: 1464
• a: 13.881 ± 0.004 Å
• b: 13.961 ± 0.004 Å
• c: 25.285 ± 0.006 Å
• α: 90°
• β: 110.028 ± 0.013°
• γ: 90°
• Cell volume: 4604 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0914
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1386
• Weighted residual factors for all reflections included in the refinement: 0.1528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No