Information card for entry 4121555

Structure parameters

• Formula: C74 H95 Mg Mn N5 Si
• Calculated formula: C74 H95 Mg Mn N5 Si
• SMILES: [Mn](N([Si](C(C)C)(C(C)C)C(C)C)c1c(cc(cc1C(c1ccccc1)c1ccccc1)C(C)C)C(c1ccccc1)c1ccccc1)C1=[N]([Mg]2([N](=C(C)C=C(N2c2c(cc(cc2C)C)C)C)c2c(cc(cc2C)C)C)N1C(C)C)C(C)C
• Title of publication: A two-coordinate manganese(0) complex with an unsupported mn-mg bond: allowing access to low coordinate homo- and heterobimetallic compounds.
• Authors of publication: Hicks, Jamie; Hoyer, Chad E.; Moubaraki, Boujemaa; Manni, Giovanni Li; Carter, Emma; Murphy, Damien M.; Murray, Keith S.; Gagliardi, Laura; Jones, Cameron
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 14
• Pages of publication: 5283 - 5286
• a: 14.7416 ± 0.0011 Å
• b: 16.0335 ± 0.0011 Å
• c: 16.1827 ± 0.0014 Å
• α: 89.828 ± 0.006°
• β: 116.83 ± 0.008°
• γ: 94.088 ± 0.006°
• Cell volume: 3402.7 ± 0.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0962
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.1442
• Weighted residual factors for all reflections included in the refinement: 0.1695
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No