Information card for entry 7037606

Structure parameters

• Formula: C68 H110 Br2 Mn2 N6
• Calculated formula: C68 H110 Br2 Mn2 N6
• SMILES: C1(=[N](c2c(cccc2C(C)C)C(C)C)[Mn]2(N1c1c(cccc1C(C)C)C(C)C)[Br][Mn]1([N](=C(N1c1c(cccc1C(C)C)C(C)C)N(C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[Br]2)N(C(C)C)C(C)C.CCCCCC
• Title of publication: Stabilisation of carbonyl free amidinato-manganese(ii) hydride complexes: "masked" sources of manganese(i) in organometallic synthesis.
• Authors of publication: Fohlmeister, Lea; Jones, Cameron
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 4
• Pages of publication: 1436 - 1442
• a: 12.3353 ± 0.0006 Å
• b: 19.0705 ± 0.001 Å
• c: 15.5764 ± 0.0008 Å
• α: 90°
• β: 101.664 ± 0.002°
• γ: 90°
• Cell volume: 3588.5 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1063
• Residual factor for significantly intense reflections: 0.0736
• Weighted residual factors for significantly intense reflections: 0.1262
• Weighted residual factors for all reflections included in the refinement: 0.1432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No