Information card for entry 7013434

Structure parameters

• Formula: C30.5 H24 Cl4 N3 O4 P Re S
• Calculated formula: C30.5 H23 Cl4 N3 O4 P Re S
• Title of publication: Tertiary phosphine binding to pyridylazole chelated rhenium via substitution in phosphine oxide precursors: geometrical preference, twin isomerization and effects of diphosphine spacer length and metal oxidation state
• Authors of publication: Sengupta, Suman; Gangopadhyay, Jaydip; Chakravorty, Animesh
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 24
• Pages of publication: 4635
• a: 13.989 ± 0.003 Å
• b: 14.769 ± 0.003 Å
• c: 16.881 ± 0.003 Å
• α: 86.26 ± 0.03°
• β: 88.95 ± 0.03°
• γ: 75.15 ± 0.03°
• Cell volume: 3364 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0739
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for all reflections: 0.171
• Weighted residual factors for significantly intense reflections: 0.1482
• Goodness-of-fit parameter for all reflections: 1.072
• Goodness-of-fit parameter for significantly intense reflections: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No