Information card for entry 4076531

Structure parameters

• Formula: C52 H68 B2 Mo2 N12 O4 Rh2 Se2
• Calculated formula: C52 H68 B2 Mo2 N12 O4 Rh2 Se2
• SMILES: [BH]12n3[n](c(cc3C)C)[Mo](C#[Se]3[Rh]456([CH]7CC[CH]4=[CH]5CC[CH]6=7)[Se](#C[Mo]45(C#[O])(C#[O])[n]6n([BH](n7c(cc(C)[n]47)C)n4[n]5c(cc4C)C)c(cc6C)C)[Rh]4563[CH]3CC[CH]4=[CH]5CC[CH]6=3)(C#[O])(C#[O])([n]3c(C)cc(n13)C)[n]1c(cc(n21)C)C
• Title of publication: Novel Carbon Monochalcogenide Coordination Mode: [Rh2{μ-SeCMo(CO)2(Tp*)}2(η4-cod)2] (Tp* = hydrotris(3,5-dimethylpyrazol-1-yl)borate; cod =cyclo-octa-1,5-diene)
• Authors of publication: Hill, Anthony F.; McQueen, Caitlin M. A.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 6
• Pages of publication: 2482
• a: 10.5793 ± 0.0002 Å
• b: 10.6046 ± 0.0003 Å
• c: 15.4375 ± 0.0004 Å
• α: 82.0374 ± 0.0011°
• β: 72.8897 ± 0.0014°
• γ: 61.3733 ± 0.0013°
• Cell volume: 1452.92 ± 0.07 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0451
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for all reflections: 0.0796
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.0796
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9818
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No