Information card for entry 4338349

Structure parameters

• Formula: C47 H36 Cl2 O12 P2 Re2
• Calculated formula: C47 H28 Cl2 O12 P2 Re2
• SMILES: [Re]12(Oc3c(O1)c(Cl)c1O[Re](Oc1c3Cl)([O]=P(CCCCP(=[O]2)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O].c1(ccccc1)C
• Title of publication: New class of phosphine oxide donor-based supramolecular coordination complexes from an in situ phosphine oxidation reaction or phosphine oxide ligands.
• Authors of publication: Shankar, Bhaskaran; Elumalai, Palani; Shanmugam, Ramasamy; Singh, Virender; Masram, Dhanraj T.; Sathiyendiran, Malaichamy
• Journal of publication: Inorganic chemistry
• Year of publication: 2013
• Journal volume: 52
• Journal issue: 18
• Pages of publication: 10217 - 10219
• a: 9.8861 ± 0.0004 Å
• b: 20.3537 ± 0.0009 Å
• c: 23.4577 ± 0.0014 Å
• α: 90°
• β: 97.154 ± 0.004°
• γ: 90°
• Cell volume: 4683.4 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.1019
• Residual factor for significantly intense reflections: 0.079
• Weighted residual factors for significantly intense reflections: 0.1629
• Weighted residual factors for all reflections included in the refinement: 0.1728
• Goodness-of-fit parameter for all reflections included in the refinement: 1.203
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No