Information card for entry 4340602

Structure parameters

• Formula: C34 H32 Mo O4 P2
• Calculated formula: C34 H32 Mo O4 P2
• SMILES: [Mo]1([P](c2ccc3c4c(ccc([P]1(c1ccccc1)c1ccccc1)c24)CC3)(C(C)C)C(C)C)(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Sterically Encumbered Tin and Phosphorus peri-Substituted Acenaphthenes.
• Authors of publication: Chalmers, Brian A.; Athukorala Arachchige, Kasun S.; Prentis, Joanna K. D.; Knight, Fergus R.; Kilian, Petr; Slawin, Alexandra M. Z.; Woollins, J. Derek
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 16
• Pages of publication: 8795 - 8808
• a: 13.85 ± 0.001 Å
• b: 14.5076 ± 0.0011 Å
• c: 30.183 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6064.7 ± 0.9 ų
• Cell temperature: 125 K
• Ambient diffraction temperature: 125 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No