Information card for entry 2212087

Structure parameters

• Chemical name: {2-Bromo-4-chloro-6-[2- (dimethylamino)ethyliminomethyl]phenolato)thiocyanatonickel(II)
• Formula: C12 H13 Br Cl N3 Ni O S
• Calculated formula: C12 H13 Br Cl N3 Ni O S
• Title of publication: {2-Bromo-4-chloro-6-[2-(dimethylamino)ethyliminomethyl]phenolato}thiocyanatonickel(II)
• Authors of publication: Xiao-Fan Zhao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: m433 - m434
• a: 19.338 ± 0.001 Å
• b: 6.994 ± 0.001 Å
• c: 11.288 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1526.7 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 8
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0523
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes