Information card for entry 1512835

Structure parameters

• Formula: C34.5 H39 Mn Ni O3
• Calculated formula: C34.5 H39 Mn Ni O3
• SMILES: [c]123c(c4c(c([c]51[cH]1[c]6([cH]2[Mn]3516(C#[O])(C#[O])C#[O])CC)C)[cH]1[Ni]23567([c]1(CC)[cH]42)[c]1([c]3([c]5([c]6([c]71C)C)C)C)C)C.Cc1ccccc1
• Title of publication: Synthesis and structure of some heterobimetallic complexes having a polyalkyl-s-indacenyl spacer
• Authors of publication: Cesar Morales-Verdejo; Ivan Martinez; Desmond Mac-Leod Carey; Ivonne Chavez; Juan Manuel Manriquez; Dimitri Matioszek; Nathalie Saffon; Annie Castel; Pierre Riviere; Elies Molins
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 394
• Pages of publication: 752 - 756
• a: 7.4299 ± 0.0005 Å
• b: 14.9559 ± 0.0011 Å
• c: 14.9648 ± 0.0011 Å
• α: 106.682 ± 0.003°
• β: 95.536 ± 0.003°
• γ: 102.028 ± 0.003°
• Cell volume: 1536.11 ± 0.19 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0916
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No