Information card for entry 7008508

Structure parameters

• Formula: C28 H32 Cd2 O4 P4 Se8
• Calculated formula: C28 H32 Cd2 O4 P4 Se8
• SMILES: [Cd]12([Se]P(=[Se]1)(c1ccccc1)OC)[Se]P(=[Se][Cd]1([Se]P(=[Se]2)(c2ccccc2)OC)[Se]P(=[Se]1)(c1ccccc1)OC)(c1ccccc1)OC
• 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: 24.5905 ± 0.0004 Å
• b: 6.9511 ± 0.0001 Å
• c: 48.2341 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8244.7 ± 0.2 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0761
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1669
• Weighted residual factors for all reflections included in the refinement: 0.181
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No