Information card for entry 4068378

Structure parameters

• Formula: C33 H27 Au B Mo2 N4 O7 P S2
• Calculated formula: C33 H27 Au B Mo2 N4 O7 P S2
• SMILES: [Au]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)[Mo]3(C#[O])(C1=O)(C2=O)[S]1[Mo](C#[O])(C#[O])(C#[O])(C#[O])[S]3=c2n([BH2]n3c=1n(cc3)C)ccn2C
• Title of publication: Bimetallic Dihydrobis(methimazolyl)borate Coordination: Molecular Structure [Mo2Au{μ2-H2B(mt)2}(PPh3)(CO)7] (mt = methimazolyl)
• Authors of publication: Cade, Ian A.; Hill, Anthony F.; Tshabang, Never; Smith, Matthew K.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 4
• Pages of publication: 1143
• a: 9.33 ± 0.0019 Å
• b: 14.46 ± 0.003 Å
• c: 28.57 ± 0.006 Å
• α: 90°
• β: 98.69 ± 0.03°
• γ: 90°
• Cell volume: 3810.2 ± 1.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0627
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No