Information card for entry 4077520

Structure parameters

• Formula: C18 H22 Cl2 Mo2
• Calculated formula: C18 H22 Cl2 Mo2
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Mo]16782345([CH2]=[CH]1[CH]6=[CH2]7)[Cl][Mo]1234567([cH]9[cH]1[cH]2[cH]3[cH]49)([CH2]=[CH]5[CH]6=[CH2]7)[Cl]8
• Title of publication: Dialkyl(butadiene)cyclopentadienylmolybdenum(III) Complexes. Synthesis, Characterization, and Reactivity
• Authors of publication: Le Grognec, Erwan; Poli, Rinaldo; Richard, Philippe
• Journal of publication: Organometallics
• Year of publication: 2000
• Journal volume: 19
• Journal issue: 19
• Pages of publication: 3842
• a: 10.636 ± 0.001 Å
• b: 7.635 ± 0.001 Å
• c: 11.912 ± 0.001 Å
• α: 90°
• β: 111.454 ± 0.006°
• γ: 90°
• Cell volume: 900.3 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0528
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for all reflections: 0.1404
• Weighted residual factors for significantly intense reflections: 0.1349
• Goodness-of-fit parameter for all reflections: 1.119
• Goodness-of-fit parameter for significantly intense reflections: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No