Information card for entry 7030470

Structure parameters

• Formula: C41 H47 Cl Cu N2 O Ru
• Calculated formula: C41 H47 Cl Cu N2 O Ru
• SMILES: [Cu](Cl)[n]1c(cc[c]23[Ru]456789%10([c]12[c]14nc(cc[c]51[cH]36)c1c(cc(cc1C)C)C)[c]1([c]7([c]8([c]9([c]%101C)C)C)C)C)c1c(cc(cc1C)C)C.COCCOC
• Title of publication: Heterodinuclear complexes of 4,5-diazafluorene derivatives displaying η(5),κ(2)-[N,N] and η(5),κ(1)-N coordination modes.
• Authors of publication: Batcup, Rhys; Annibale, Vincent T.; Song, Datong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 23
• Pages of publication: 8951 - 8958
• a: 24.8011 ± 0.0009 Å
• b: 17.2929 ± 0.0007 Å
• c: 17.4643 ± 0.0008 Å
• α: 90°
• β: 95.421 ± 0.001°
• γ: 90°
• Cell volume: 7456.6 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0928
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1281
• Weighted residual factors for all reflections included in the refinement: 0.1478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No