Information card for entry 7030464

Structure parameters

• Formula: C41 H38 N2 Pt
• Calculated formula: C41 H38 N2 Pt
• SMILES: [Pt]1([n]2c3c4[n]1c(ccc4Cc3ccc2c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(c1ccccc1)c1ccccc1
• 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: 10.4945 ± 0.0004 Å
• b: 19.6731 ± 0.0007 Å
• c: 19.6007 ± 0.0006 Å
• α: 90°
• β: 94.307 ± 0.001°
• γ: 90°
• Cell volume: 4035.3 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0289
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.0639
• Weighted residual factors for all reflections included in the refinement: 0.0658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No