Information card for entry 4340313

Structure parameters

• Formula: C48 H36 B2 Mo N4 O4 P2
• Calculated formula: C48 H36 B2 Mo N4 O4 P2
• SMILES: c12cccc3cccc(c13)NB(N2)[P](c1ccccc1)(c1ccccc1)[Mo](C#[O])(C#[O])(C#[O])(C#[O])[P](c1ccccc1)(c1ccccc1)B1Nc2cccc3cccc(c23)N1
• Title of publication: Mono-, di-, and triborylphosphine analogues of triarylphosphines.
• Authors of publication: Bailey, Jonathan A.; Ploeger, Marten; Pringle, Paul G.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 14
• Pages of publication: 7763 - 7769
• a: 9.873 ± 0.0001 Å
• b: 13.0201 ± 0.0002 Å
• c: 33.2549 ± 0.0005 Å
• α: 90°
• β: 90.629 ± 0.001°
• γ: 90°
• Cell volume: 4274.57 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0288
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0583
• Weighted residual factors for all reflections included in the refinement: 0.0605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No