Information card for entry 7005365

Structure parameters

• Formula: C40 H54 Cl4 N10 Ni2 O4
• Calculated formula: C40 H54 Cl4 N10 Ni2 O4
• SMILES: c12ccccc1n(C)c1C[NH]3Cc4n(C)c5ccccc5[n]4[Ni]43([n]21)(Cl)[Cl][Ni]12([n]3c5ccccc5n(C)c3C[NH]1Cc1n(C)c3ccccc3[n]21)(Cl)[Cl]4.OC.OC.OC.OC
• Title of publication: Ligand-controlled nuclearity in nickel bis(benzimidazolyl) complexes.
• Authors of publication: Lee, Way-Zen; Tseng, Huan-Sheng; Kuo, Ting-Shen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 24
• Pages of publication: 2563 - 2570
• a: 8.485 ± 0.0002 Å
• b: 11.869 ± 0.0003 Å
• c: 12.982 ± 0.0004 Å
• α: 113.657 ± 0.001°
• β: 99.923 ± 0.001°
• γ: 100.447 ± 0.001°
• Cell volume: 1133.25 ± 0.05 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0632
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1376
• Weighted residual factors for all reflections included in the refinement: 0.1467
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No