Information card for entry 4064336

Structure parameters

• Formula: C27 H19 Cl3 N2 O4 P Re Zn
• Calculated formula: C27 H19 Cl3 N2 O4 P Re Zn
• SMILES: [Re]1([Zn]2(Cl)[n]3ccccc3c3[n]2c([P]1(c1ccccc1)c1ccccc1)ccc3)(C#[O])(C#[O])(C#[O])C#[O].C(Cl)Cl
• Title of publication: Heterobimetallic Complexes of Rhenium and Zinc: Potential Catalysts for Homogeneous Syngas Conversion
• Authors of publication: West, Nathan M.; Labinger, Jay A.; Bercaw, John E.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 10
• Pages of publication: 2690
• a: 8.9302 ± 0.0004 Å
• b: 10.5871 ± 0.0004 Å
• c: 16.0479 ± 0.0006 Å
• α: 96.985 ± 0.002°
• β: 94.55 ± 0.002°
• γ: 109.583 ± 0.002°
• Cell volume: 1407.13 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0367
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0405
• Weighted residual factors for all reflections included in the refinement: 0.0413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.47
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No