Information card for entry 4331089

Structure parameters

• Formula: C31 H37 B2 Cr F8 N7 O7
• Calculated formula: C31 H37 B2 Cr F8 N7 O7
• Title of publication: Structural and Electronic Comparison of 1st Row Transition Metal Complexes of a Tripodal Iminopyridine Ligand
• Authors of publication: Ashley M. McDaniel; Anthony K. Rappé; Matthew P. Shores
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 12493 - 12502
• a: 11.863 ± 0.0004 Å
• b: 12.9273 ± 0.0005 Å
• c: 13.1753 ± 0.0005 Å
• α: 81.305 ± 0.002°
• β: 71.683 ± 0.002°
• γ: 71.499 ± 0.002°
• Cell volume: 1816.04 ± 0.12 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0739
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1281
• Weighted residual factors for all reflections included in the refinement: 0.1416
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No