Information card for entry 4304204

Structure parameters

• Formula: C22 H51 Cl Mn N2 P2 Si
• Calculated formula: C22 H51 Cl Mn N2 P2 Si
• SMILES: [Mn]12(Cl)[P](CCN([Si](N2C(C)(C)C)(C)C)CC[P]1(C(C)C)C(C)C)(C(C)C)C(C)C
• Title of publication: First-Row Transition Metal-Halide Complexes Supported by a Monoanionic [N2P2] Ligand
• Authors of publication: Wayne A. Chomitz; Seth F. Mickenberg; John Arnold
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 373 - 380
• a: 23.337 ± 0.003 Å
• b: 16.667 ± 0.002 Å
• c: 14.9432 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5812.3 ± 1.3 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 7
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.293
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No