Information card for entry 4338350

Structure parameters

• Formula: C83 H68 O22 P4 Re4
• Calculated formula: C83 H68 O22 P4 Re4
• SMILES: [Re]12(C#[O])(C#[O])(C#[O])[O]=P(c3ccccc3)(c3ccccc3)CCCCP(c3ccccc3)(c3ccccc3)=[O][Re]3(C#[O])(C#[O])(C#[O])[O]4[Re]5(C#[O])(C#[O])(C#[O])[O]=P(CCCCP(c6ccccc6)(c6ccccc6)=[O][Re]6(C#[O])(C#[O])(C#[O])[O]2c2c(c(c4c(c2O1)O5)O3)O6)(c1ccccc1)c1ccccc1.c1(cc(cc(c1)C)C)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: 19.166 ± 0.005 Å
• b: 16.682 ± 0.005 Å
• c: 27.879 ± 0.005 Å
• α: 90 ± 0.005°
• β: 105.803 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 8577 ± 4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0919
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.1246
• Weighted residual factors for all reflections included in the refinement: 0.1353
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No