Information card for entry 2005629

Structure parameters

• Chemical name: (η^4^-1,3-butadiene)tricarbonyl-μ-hydrido(μ-η^1:5^-indene-1,1-diyl)- (η^5^indenyl)dimolybdenum
• Formula: C25 H20 Mo2 O3
• Calculated formula: C25 H20 Mo2 O3
• SMILES: [Mo]12345([H][Mo]6789%10%11%12(C#[O])([CH2]=[CH]7[CH]8=[CH2]6)[c]78cccc[c]89[cH]%12[cH]%11[c]5%107)(C#[O])(C#[O])[c]56cccc[c]46[cH]3[cH]2[cH]15
• Title of publication: Photochemical Reactions of Transition Metal Organyl Complexes with Olefins. 15. Tricarbonyl(η^4^-1,3-butadiene)-μ-hydrido-(μ-η^1:5^-indene-1,1-diyl)(η^5^-indenyl)-dimolybdenum(<i>Mo</i>—<i>Mo</i>)
• Authors of publication: Kreiter, C. G.; Meuser, R.; Frank, W.; Müller-Becker, S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 11
• Pages of publication: 2701 - 2703
• a: 9.558 ± 0.002 Å
• b: 10.454 ± 0.002 Å
• c: 11.009 ± 0.002 Å
• α: 80.29 ± 0.02°
• β: 87.94 ± 0.02°
• γ: 75.43 ± 0.02°
• Cell volume: 1049.4 ± 0.4 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0254
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for all reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.0495
• Goodness-of-fit parameter for all reflections: 1.875
• Goodness-of-fit parameter for significantly intense reflections: 1.927
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No