Information card for entry 4076692

Structure parameters

• Formula: C28 H20 N2 Ru
• Calculated formula: C28 H20 N2 Ru
• SMILES: [Ru]12345678([c]9([cH]1[cH]2[cH]3[cH]49)c1c2ncccc2ccc1)[c]1([cH]5[cH]6[cH]7[cH]81)c1c2ncccc2ccc1
• Title of publication: Novel Heterobimetallic Compounds with Metal−Metal Bonds: The Use of Quinolyl-Substituted Metallocenes as Tridentate Ligands†
• Authors of publication: Enders, Markus; Kohl, Gerald; Pritzkow, Hans
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 6
• Pages of publication: 1111
• a: 13.38 ± 0.0006 Å
• b: 10.1313 ± 0.0005 Å
• c: 14.549 ± 0.0007 Å
• α: 90°
• β: 93.025 ± 0.001°
• γ: 90°
• Cell volume: 1969.47 ± 0.16 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 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: 0.0332
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0688
• Weighted residual factors for all reflections included in the refinement: 0.0731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No