Information card for entry 7060382

Structure parameters

• Formula: C52 H40 Br4 Cl4 Fe2 N2 P2
• Calculated formula: C52 H40 Br4 Cl4 Fe2 N2 P2
• Title of publication: Group VIII coordination complexes of bidentate P^N ligands bearing π-extended quinoline or phenanthridine N-heterocycles
• Authors of publication: Mondal, Rajarshi; Braun, Jason D.; Lozada, Issiah B.; Nickel, Rachel; van Lierop, Johan; Herbert, David E.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 9
• Pages of publication: 4427 - 4436
• a: 10.36 ± 0.002 Å
• b: 10.778 ± 0.003 Å
• c: 13.244 ± 0.003 Å
• α: 107.886 ± 0.003°
• β: 110.763 ± 0.003°
• γ: 97.176 ± 0.003°
• Cell volume: 1269.7 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.1568
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1255
• Weighted residual factors for all reflections included in the refinement: 0.1657
• Goodness-of-fit parameter for all reflections included in the refinement: 0.899
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No