Information card for entry 4077085

Structure parameters

• Chemical name: Os3(CO)7(CNCH2Ph)(mu3-CNCH2Ph)(mu-H)2(mu3-eta1:eta2:eta1-C60) (2)
• Formula: C83 H14 N2 O7 Os3
• Calculated formula: C83 H14 N2 O7 Os3
• SMILES: [Os]12([Os]345(C([Os]3(C#[N]Cc3ccccc3)(C#[O])(C#[O])C36[C]75=[C]54C42c2c3c3c8c6c6c9c7c7c5c5c%10c4c4c2c2c3c3c%11c8c8c6c6c9c9c7c7c5c5c%10c%10c4c4c2c3c2c3c4c%10c4c5c5c7c9c7c6c6c8c%11c2c2c3c4c5c7c62)=[N]1Cc1ccccc1)(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Substitution Reactions of aμ3-η1:η2:η1-C60Triosmium Cluster Complex and Formation of a Novelμ3-η1:η1:η2-C60Bonding Mode
• Authors of publication: Song, Hyunjoon; Choi, Jae Ik; Lee, Kwangyeol; Choi, Moon-Gun; Park, Joon T.
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 24
• Pages of publication: 5221
• a: 20.096 ± 0.013 Å
• b: 23.457 ± 0.015 Å
• c: 12.359 ± 0.008 Å
• α: 90°
• β: 102.6 ± 0.012°
• γ: 90°
• Cell volume: 5686 ± 6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0636
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1407
• Weighted residual factors for all reflections included in the refinement: 0.1512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No