Information card for entry 4074034

Structure parameters

• Formula: C20 H25 Mn N O3 P S
• Calculated formula: C20 H25 Mn N O3 P S
• SMILES: [Mn]1234([cH]5[c]1(N(C)C)[c]2(P(=S)(C(C)C)C(C)C)[c]13cccc[c]451)(C#[O])(C#[O])C#[O]
• Title of publication: New Racemic Planar-Chiral Metalloligands Derived from Donor-Substituted Indenes: A Synthetic, Structural, and Catalytic Investigation
• Authors of publication: Wechsler, Dominik; Rankin, Matthew A.; McDonald, Robert; Ferguson, Michael J.; Schatte, Gabriele; Stradiotto, Mark
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 25
• Pages of publication: 6418
• a: 9.688 ± 0.002 Å
• b: 15.57 ± 0.004 Å
• c: 13.898 ± 0.003 Å
• α: 90°
• β: 91.494 ± 0.004°
• γ: 90°
• Cell volume: 2095.7 ± 0.8 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• 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: 0.0295
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No