Information card for entry 7113887

Structure parameters

• Formula: C48 H38 Mn2 O4
• Calculated formula: C48 H38 Mn2 O4
• SMILES: [Mn]12345(C#[O])(C#[O])([C](#[C]1C(=C([C]1#[C]([Mn]67891(C#[O])(C#[O])[c]1([cH]6[cH]7[cH]8[cH]91)C)c1ccccc1)c1ccc(cc1)C)c1ccc(cc1)C)c1ccccc1)[c]1([cH]2[cH]3[cH]4[cH]51)C
• Title of publication: Electrocatalytic dimerisation of non-heteroatom-substituted manganese alkynylcarbene complexesElectronic supplementary information (ESI) available: details of syntheses and spectral characterisation of the new complexes, ORTEP plot of complex 3b. See http://www.rsc.org/suppdata/cc/b3/b300623a/
• Authors of publication: Ortin, Yannick; Sournia-Saquet, Alix; Lugan, Noël; Mathieu, René
• Journal of publication: Chemical Communications
• Year of publication: 2003
• Journal issue: 9
• Pages of publication: 1060
• a: 11.3732 ± 0.0016 Å
• b: 18.282 ± 0.003 Å
• c: 19.26 ± 0.005 Å
• α: 90°
• β: 106.65 ± 0.02°
• γ: 90°
• Cell volume: 3836.7 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0717
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.1067
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No