Information card for entry 2008529

Structure parameters

• Formula: C16 H12 F3 N2 O8 Re S
• Calculated formula: C16 H8 F3 N2 O7.995 Re S
• Title of publication: The red form of [Re(phen)(CO)~3~(H~2~O)]CF~3~SO~3~^.^H~2~O
• Authors of publication: Connick, William B.; Di Bilio, Angel J.; Schaefer, William P.; Gray, Harry B.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 6
• Pages of publication: 913 - 916
• a: 12.922 ± 0.002 Å
• b: 13.914 ± 0.002 Å
• c: 14.263 ± 0.006 Å
• α: 65.05 ± 0.02°
• β: 73.3 ± 0.03°
• γ: 64.59 ± 0.01°
• Cell volume: 2082.4 ± 1 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for all reflections: 0.075
• Weighted residual factors for significantly intense reflections: 0.075
• Goodness-of-fit parameter for all reflections: 1.66
• Goodness-of-fit parameter for significantly intense reflections: 1.66
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No