Information card for entry 7113728

Structure parameters

• Formula: C122 H92 N8 O Os2
• Calculated formula: C122 H92 N8 O Os2
• SMILES: C1(=c2ccc3=C(c4ccc5=C(c6n7c(cc6)C(=c6[n](c1cc6)[Os]7(n23)([n]45)(O[Os]123([n]4c5C(=c6n3c(=C(c3[n]2c(=C(c2ccc(C(=c4cc5)c4ccc(cc4)C)n12)c1ccc(cc1)C)cc3)c1ccc(cc1)C)cc6)c1ccc(cc1)C)=C(c1ccccc1)c1ccccc1)=C(c1ccccc1)c1ccccc1)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: 24.106 ± 0.003 Å
• b: 16.824 ± 0.002 Å
• c: 28.651 ± 0.004 Å
• α: 90°
• β: 107.618 ± 0.003°
• γ: 90°
• Cell volume: 11075 ± 2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.133
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.1261
• Weighted residual factors for all reflections included in the refinement: 0.1489
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7103689
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No