Information card for entry 4080789

Structure parameters

• Formula: C44 H64 B F3 N2 O5 Os S
• Calculated formula: C44 H64 B F3 N2 O5 Os S
• SMILES: [OsH2]12345(B6OC(C)(C)C(O6)(C)C)(=C6N(C=CN6c6c(C(C)C)cccc6C(C)C)c6c(C(C)C)cccc6C(C)C)[cH]6[cH]4[c]5([cH]3[cH]2[c]16C)C(C)C.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Cationic Dihydride Boryl and Dihydride Silyl Osmium(IV) NHC Complexes: A Marked Diagonal Relationship
• Authors of publication: Buil, Mar\?ía L.; Esteruelas, Miguel A.; Fernández, Israel; Izquierdo, Susana; Oñate, Enrique
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 9
• Pages of publication: 2744
• a: 24.428 ± 0.006 Å
• b: 10.52 ± 0.002 Å
• c: 19.509 ± 0.004 Å
• α: 90°
• β: 114.327 ± 0.003°
• γ: 90°
• Cell volume: 4568.3 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0565
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No