Information card for entry 7003361

Structure parameters

• Formula: C37 H45 N5
• Calculated formula: C37 H45 N5
• Title of publication: ‘Pincer’ pyridine dicarbene complexes of nickel and their derivatives. Unusual ring opening of a coordinated imidazol-2-ylidene
• Authors of publication: Pugh, David; Boyle, Aimee; Danopoulos, Andreas A.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 8
• Pages of publication: 1087 - 1094
• a: 15.058 ± 0.003 Å
• b: 24.92 ± 0.006 Å
• c: 10.967 ± 0.003 Å
• α: 90°
• β: 91.36 ± 0.003°
• γ: 90°
• Cell volume: 4114.2 ± 1.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1048
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.1937
• Weighted residual factors for all reflections included in the refinement: 0.2125
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.7848 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No