Information card for entry 7000665

Structure parameters

• Formula: C42 H38 Br2 N2 Ni S2
• Calculated formula: C42 H38 Br2 N2 Ni S2
• Title of publication: Formation and crystallographic elucidation of stable [4 + 2]-coordinate nickel(ii) N,S-heterocyclic carbene (NSHC) complexes
• Authors of publication: Ding, Nini; Zhang, Jun; Hor, T. S. Andy
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 10
• Pages of publication: 1853 - 1858
• a: 8.3327 ± 0.0005 Å
• b: 8.7543 ± 0.0005 Å
• c: 14.4928 ± 0.0009 Å
• α: 98.214 ± 0.001°
• β: 104.95 ± 0.001°
• γ: 102.293 ± 0.001°
• Cell volume: 975.85 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0475
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.0956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No