Information card for entry 7030468

Structure parameters

• Formula: C39 H42 Cl2 Fe N2 Ru
• Calculated formula: C39 H42 Cl2 Fe N2 Ru
• SMILES: [Fe]1(Cl)(Cl)[n]2c(cc[c]34[Ru]56789%10%11([c]23[c]25[n]1c(cc[c]62[cH]47)c1c(cc(cc1C)C)C)[c]1([c]8([c]9([c]%10([c]%111C)C)C)C)C)c1c(cc(cc1C)C)C
• 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: 12.4483 ± 0.0004 Å
• b: 18.2682 ± 0.0004 Å
• c: 21.5571 ± 0.0007 Å
• α: 90°
• β: 121.838 ± 0.001°
• γ: 90°
• Cell volume: 4164.7 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0697
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1856
• Weighted residual factors for all reflections included in the refinement: 0.1921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No