Information card for entry 7113727

Structure parameters

• Formula: C66 H51 N5 Os
• Calculated formula: C66 H51 N5 Os
• SMILES: C1(=c2ccc3=C(c4ccc5=C(c6ccc7C(=c8ccc1[n]8[Os](n23)([n]45)([n]1ccccc1)(=C(c1ccccc1)c1ccccc1)n67)c1ccc(cc1)C)c1ccc(cc1)C)c1ccc(cc1)C)c1ccc(cc1)C
• Title of publication: Oxo-bridged metal carbene complexes. Synthesis, structure and reactivities of {[Os(Por)(CPh2)]2O} (Por = porphyrinato dianion)
• Authors of publication: Li, Yan; Huang, Jie-Sheng; Zhou, Zhong-Yuan; Che, Chi-Ming
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 12
• Pages of publication: 1362 - 1363
• a: 14.67 ± 0.005 Å
• b: 11.581 ± 0.004 Å
• c: 16.707 ± 0.005 Å
• α: 90°
• β: 105.29 ± 0.007°
• γ: 90°
• Cell volume: 2737.9 ± 1.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.1402
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7103688
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No