Information card for entry 4340542

Structure parameters

• Formula: C32 H35 Cl Mo O5 P2
• Calculated formula: C32 H35 Cl Mo O5 P2
• SMILES: [Mo](Cl)([P]1([P+](c2ccc3c4c(ccc1c24)CC3)(C(C)C)C(C)C)c1ccccc1)(C#[O])(C#[O])(C#[O])C#[O].O1CCCC1
• Title of publication: Synthetic and Structural Study of the Coordination Chemistry of a peri-Backbone-Supported Phosphino-Phosphonium Salt.
• Authors of publication: Ray, Matthew J.; Bühl, Michael; Taylor, Laurence J.; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Kilian, Petr
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 16
• Pages of publication: 8538 - 8547
• a: 14.366 ± 0.005 Å
• b: 15.08 ± 0.004 Å
• c: 15.778 ± 0.005 Å
• α: 90°
• β: 114.186 ± 0.008°
• γ: 90°
• Cell volume: 3118.1 ± 1.7 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for all reflections included in the refinement: 0.1389
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No