Information card for entry 4322484

Structure parameters

• Formula: C26 H31 N O2 P Re S3
• Calculated formula: C26 H31 N O2 P Re S3
• SMILES: [Re]123(=O)(SCC[N]2(CCS1)CCSCC)[P](c1c(O3)cccc1)(c1ccccc1)c1ccccc1
• Title of publication: Novel Six-Coordinate Oxorhenium "3 + 2" Mixed-Ligand Complexes Carrying the SNS/PO Donor Atom Set: Synthesis and Characterization
• Authors of publication: Berthold Nock; Theodosia Maina; Francesco Tisato; Minas Papadopoulos; Catherine P. Raptopoulou; Aris Terzis; Efstratios Chiotellis
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 4197 - 4202
• a: 9.013 ± 0.003 Å
• b: 29.03 ± 0.01 Å
• c: 10.186 ± 0.004 Å
• α: 90°
• β: 93.69 ± 0.01°
• γ: 90°
• Cell volume: 2659.6 ± 1.6 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for all reflections: 0.1257
• Weighted residual factors for significantly intense reflections: 0.1196
• Goodness-of-fit parameter for all reflections: 1.102
• Goodness-of-fit parameter for significantly intense reflections: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No