Information card for entry 7005316

Structure parameters

• Formula: C58 H49 B Cl6 Mo N7 O5 P Ru
• Calculated formula: C58 H49 B Cl6 Mo N7 O5 P Ru
• SMILES: [Mo]123(C#[N][Ru]4(C#[O])(C#[O])(Oc5c(O4)c(Cl)c(Cl)c(Cl)c5Cl)[P](c4ccccc4)(c4ccccc4)c4ccccc4)([n]4n([BH](n5[n]1c(cc5C)C)n1[n]2c(cc1C)C)c(C)cc4C)(C(=C3c1ccccc1)c1ccccc1)C#[O].C(Cl)Cl
• Title of publication: Cyanide-bridged linkage isomers with catecholateruthenium(ii) centres bound to Mn(i) or M(alkyne) units
• Authors of publication: Adams, Christopher J.; Connelly, Neil G.; Onganusorn, Sriwipha
• Journal of publication: Dalton Transactions
• Year of publication: 2007
• Journal issue: 19
• Pages of publication: 1904
• a: 14.73 ± 0.005 Å
• b: 19.399 ± 0.004 Å
• c: 21.653 ± 0.004 Å
• α: 90°
• β: 95.65 ± 0.03°
• γ: 90°
• Cell volume: 6157 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 9
• 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: 0.1502
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1444
• Goodness-of-fit parameter for all reflections included in the refinement: 0.92
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No