Information card for entry 4077299

Structure parameters

• Formula: C71 H60 Br2 Cl2 Ni2 O4 P4
• Calculated formula: C71 H60 Br2 Cl2 Ni2 O4 P4
• Title of publication: Regioselectivities of the Insertion Reactions of Unsymmetrical Alkynes with the Nickelacycles [NiBr(C6H4CH2PPh2-2)(L)] (L = Tertiary Phosphine)
• Authors of publication: Edwards, Alison J.; Macgregor, Stuart A.; Rae, A. David; Wenger, Eric; Willis, Anthony C.
• Journal of publication: Organometallics
• Year of publication: 2001
• Journal volume: 20
• Journal issue: 13
• Pages of publication: 2864
• a: 18.61 ± 0.004 Å
• b: 15.7 ± 0.002 Å
• c: 22.175 ± 0.003 Å
• α: 90°
• β: 105.55 ± 0.01°
• γ: 90°
• Cell volume: 6241.9 ± 1.8 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.255
• Residual factor for significantly intense reflections: 0.094
• Weighted residual factors for all reflections: 0.149
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections: 1.259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.64
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No