Information card for entry 7008510

Structure parameters

• Formula: C36 H56 Na4 O12 P4 Se4
• Calculated formula: C36 H56 Na4 O12 P4 Se4
• SMILES: [Na]123([O]4([Na]56([O]2(P(=[Se])(c2ccccc2)[O]5C(C)C)[Na]25([O]6([Na]64([O]35P(=[Se])(c3ccccc3)[O]6C(C)C)[OH2])P(=[Se])(c3ccccc3)[O]2C(C)C)[OH2])[OH2])P(=[Se])(c2ccccc2)[O]1C(C)C)[OH2]
• Title of publication: Synthesis and structure of novel [Ph(RO)PSe2]- complexes.
• Authors of publication: Gray, Ian P.; Slawin, Alexandra M. Z.; Woollins, J. Derek
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 12
• Pages of publication: 2188 - 2194
• a: 25.7072 ± 0.0006 Å
• b: 8.4911 ± 0.0002 Å
• c: 25.3606 ± 0.0005 Å
• α: 90°
• β: 112.228 ± 0.002°
• γ: 90°
• Cell volume: 5124.4 ± 0.2 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No