Information card for entry 4334322

Structure parameters

• Formula: C108 H120 Br2 Mn2 N2 O2 Si2
• Calculated formula: C108 H120 Br2 Mn2 N2 O2 Si2
• SMILES: c1c(cc(c(c1C(c1ccccc1)c1ccccc1)N([Mn]1([O]2CCCC2)[Br][Mn](N(c2c(cc(cc2C(c2ccccc2)c2ccccc2)C)C(c2ccccc2)c2ccccc2)[Si](C)(C)C)([O]2CCCC2)[Br]1)[Si](C)(C)C)C(c1ccccc1)c1ccccc1)C.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1
• Title of publication: Extremely Bulky Amido First Row Transition Metal(II) Halide Complexes: Potential Precursors to Low Coordinate Metal-Metal Bonded Systems
• Authors of publication: Jamie Hicks; Cameron Jones
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 3900 - 3907
• a: 11.7659 ± 0.0004 Å
• b: 12.7628 ± 0.0003 Å
• c: 17.1373 ± 0.0006 Å
• α: 106.413 ± 0.003°
• β: 103.649 ± 0.003°
• γ: 97.608 ± 0.002°
• Cell volume: 2343.51 ± 0.14 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.038
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.0766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No