Information card for entry 7013436

Structure parameters

• Formula: C25 H23 Cl3 N2 O2 P Re
• Calculated formula: C25 H21 Cl3 N2 O2 P Re
• 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: 18.008 ± 0.004 Å
• b: 8.481 ± 0.002 Å
• c: 34.252 ± 0.007 Å
• α: 90°
• β: 94.65 ± 0.03°
• γ: 90°
• Cell volume: 5214 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0461
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for all reflections: 0.1263
• Weighted residual factors for significantly intense reflections: 0.1053
• Goodness-of-fit parameter for all reflections: 1.073
• Goodness-of-fit parameter for significantly intense reflections: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No