Information card for entry 4348656

Structure parameters

• Formula: C44 H72 Cl Co1.05 Fe0.95 N4 P3
• Calculated formula: C44 H72 Cl Co1.054 Fe0.946 N4 P3
• Title of publication: Redox Pairs of Diiron and Iron-Cobalt Complexes with High-Spin Ground States.
• Authors of publication: Miller, Deanna L.; Siedschlag, Randall B.; Clouston, Laura J.; Young, Jr, Victor G; Chen, Yu-Sheng; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 19
• Pages of publication: 9725 - 9735
• a: 11.7539 ± 0.0008 Å
• b: 16.248 ± 0.0011 Å
• c: 23.9122 ± 0.0015 Å
• α: 90°
• β: 101.641 ± 0.001°
• γ: 90°
• Cell volume: 4472.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.1019
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1209
• Weighted residual factors for all reflections included in the refinement: 0.1406
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.4133 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No