Information card for entry 4341238

Structure parameters

• Chemical name: hexacarbonylhydrido(μ-4H-cyclopenta[2,1-b:3,4-b']dithiophene-4-carboxylato- κO1:κO2)(μ-3-methylpyridazine-κN1:κN2)dirhenium
• Formula: C21 H12 N2 O8 Re2 S2
• Calculated formula: C21 H12 N2 O8 Re2 S2
• Title of publication: Dinuclear rhenium complexes as redox-active pendants in a novel electrodeposited polycyclopentadithiophene material.
• Authors of publication: Procopio, Elsa Quartapelle; Bonometti, Valentina; Panigati, Monica; Mercandelli, Pierluigi; Mussini, Patrizia R.; Benincori, Tiziana; D'Alfonso, Giuseppe; Sannicolò, Francesco
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 20
• Pages of publication: 11242 - 11251
• a: 10.625 ± 0.002 Å
• b: 20.994 ± 0.002 Å
• c: 11.677 ± 0.002 Å
• α: 90°
• β: 105 ± 0.02°
• γ: 90°
• Cell volume: 2515.9 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0784
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0646
• Weighted residual factors for all reflections included in the refinement: 0.0714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.171
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No