Information card for entry 4312376

Structure parameters

• Formula: C61 H50 Cl4 Fe N2 O3 P2 Re
• Calculated formula: C61 H51 Cl4 Fe N2 O3 P2 Re
• Title of publication: Electroswitchable Photoluminescence Activity: Synthesis, Spectroscopy, Electrochemistry, Photophysics, and X-ray Crystal and Electronic Structures of [Re(bpy)(CO)3(C\τbCC6H4C\τbC)Fe(C5Me5)(dppe)][PF6]n (n= 0, 1)
• Authors of publication: Keith Man-Chung Wong; Sally Chan-Fung Lam; Chi-Chiu Ko; Nianyong Zhu; Séverine Roué; Claude Lapinte; Sofiane Fathallah; Karine Costuas; Samia Kahlal; Jean-François Halet
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 7086 - 7097
• a: 11.956 ± 0.002 Å
• b: 15.308 ± 0.002 Å
• c: 17.385 ± 0.003 Å
• α: 68.47 ± 0.02°
• β: 86.33 ± 0.02°
• γ: 75.59 ± 0.02°
• Cell volume: 2865.4 ± 0.9 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 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: 0.059
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1431
• Weighted residual factors for all reflections included in the refinement: 0.1543
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No