Information card for entry 7040207

Structure parameters

• Formula: C51.2 H50.6 Cl2 N14.6 Ni O11.4 S3
• Calculated formula: C51.202 H49.803 Cl2 N14.601 Ni O11.399 S3
• Title of publication: Co-ordination behaviour of a novel tristhiourea tripodal ligand; structural variations in a series of transition metal complexes.
• Authors of publication: Saad, Fawaz A.; Knight, James C.; Kariuki, Benson M.; Amoroso, Angelo J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 25
• Pages of publication: 10280 - 10288
• a: 13.845 ± 0.0005 Å
• b: 14.643 ± 0.0005 Å
• c: 15.803 ± 0.0006 Å
• α: 107.831 ± 0.002°
• β: 97.828 ± 0.002°
• γ: 94.342 ± 0.002°
• Cell volume: 2997.95 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1942
• Residual factor for significantly intense reflections: 0.0931
• Weighted residual factors for significantly intense reflections: 0.2129
• Weighted residual factors for all reflections included in the refinement: 0.2617
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No