Information card for entry 2200135

Structure parameters

• Common name: [(DEAS-bpy)Re(CO)3CL]
• Chemical name: {4,4'-Bis[p-(diethylamino)-alfa-styryl]-2,2' -bipyridine}chlorotricarbonylrhenium(I)
• Formula: C37 H38 Cl N4 O3 Re
• Calculated formula: C37 H38 Cl N4 O3 Re
• SMILES: [Re]1(Cl)([n]2c(cc(cc2)/C=C\c2ccc(N(CC)CC)cc2)c2[n]1ccc(c2)\C=C/c1ccc(N(CC)CC)cc1)(C#[O])(C#[O])C#[O]
• Title of publication: {4,4'-Bis[<i>p</i>-(diethylamino)-α-styryl]-2,2'-bipyridine}tricarbonylchlororhenium(I)
• Authors of publication: Gerlits, O. O.; Coppens, P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 4
• Pages of publication: m164 - m166
• a: 14.4908 ± 0.0005 Å
• b: 23.1755 ± 0.0005 Å
• c: 9.6971 ± 0.0005 Å
• α: 90°
• β: 91.899 ± 0.002°
• γ: 90°
• Cell volume: 3254.8 ± 0.2 ų
• Cell temperature: 90 ± 0.1 K
• Ambient diffraction temperature: 90 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0421
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for all reflections included in the refinement: 0.0654
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No