Information card for entry 4339713

Structure parameters

• Formula: C35.5 H33.7 Cl0.2 N3.9 Ni O1.1
• Calculated formula: C35.5 H33.7 Cl0.2 N3.9 Ni O1.1
• Title of publication: Dioxygen activation by diiminodipyrromethane complexes of Ni, Pd, and Pt.
• Authors of publication: Katayev, Evgeny A.; Severin, Kay; Scopelliti, Rosario; Ustynyuk, Yuri A.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 14
• Pages of publication: 5465 - 5467
• a: 12.069 ± 0.006 Å
• b: 24.496 ± 0.016 Å
• c: 10.616 ± 0.003 Å
• α: 90°
• β: 112.35 ± 0.03°
• γ: 90°
• Cell volume: 2903 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.095
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No