Information card for entry 7008507

Structure parameters

• Formula: C14 H16 Ni O2 P2 Se4
• Calculated formula: C14 H16 Ni O2 P2 Se4
• SMILES: c1(ccccc1)P1(OC)=[Se][Ni]2([Se]1)[Se]=P(c1ccccc1)(OC)[Se]2
• 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: 7.2868 ± 0.0017 Å
• b: 8.1246 ± 0.0019 Å
• c: 9.089 ± 0.002 Å
• α: 70.312 ± 0.004°
• β: 71.498 ± 0.004°
• γ: 85.256 ± 0.004°
• Cell volume: 480.27 ± 0.19 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No