Information card for entry 7000607

Structure parameters

• Formula: C54 H52 Cl6 Fe N2 O2 P4
• Calculated formula: C52 H48 Cl2 Fe N2 O2 P4
• Title of publication: Coordination of tetradentate X2N2 (X = P, S, O) ligands to iron(II) metal center and catalytic application in the transfer hydrogenation of ketones
• Authors of publication: Buchard, Antoine; Heuclin, Hadrien; Auffrant, Audrey; Le Goff, Xavier F.; Le Floch, Pascal
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 9
• Pages of publication: 1659 - 1667
• a: 11.611 ± 0.001 Å
• b: 20.231 ± 0.001 Å
• c: 25.508 ± 0.001 Å
• α: 108.182 ± 0.001°
• β: 102.266 ± 0.001°
• γ: 92.63 ± 0.001°
• Cell volume: 5522 ± 0.6 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0771
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.151
• Weighted residual factors for all reflections included in the refinement: 0.1608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No