Information card for entry 4316798

Structure parameters

• Common name: Cp2Co[Tp(iPr)MoO2(OAr-CONHPh(4-OMe)-2)]
• Formula: C44 H53 B Co Mo N8 O5
• Calculated formula: C44 H53 B Co Mo N8 O5
• SMILES: c1(c(cccc1)C(=O)Nc1ccc(cc1)OC)O[Mo]12([n]3c(ccn3[BH](n3ccc(C(C)C)[n]13)n1ccc(C(C)C)[n]21)C(C)C)(=O)=O.[cH]12[cH]3[cH]4[cH]5[cH]1[Co]16782345[cH]2[cH]1[cH]6[cH]7[cH]82.CC#N
• Title of publication: cis-Dioxo- and cis-(Hydroxo)oxo-Mo(V) Complexes Stabilized by Intramolecular Hydrogen-Bonding
• Authors of publication: Victor W. L. Ng; Michelle K. Taylor; Jonathan M. White; Charles G. Young
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 9460 - 9469
• a: 10.9831 ± 0.0011 Å
• b: 12.7023 ± 0.0007 Å
• c: 17.3313 ± 0.0012 Å
• α: 86.255 ± 0.005°
• β: 81.535 ± 0.007°
• γ: 65.337 ± 0.007°
• Cell volume: 2173.4 ± 0.3 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1474
• Weighted residual factors for all reflections included in the refinement: 0.1743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No