Information card for entry 7060388

Structure parameters

• Formula: C78 H60 F12 Fe N3 P5
• Calculated formula: C78 H60 F12 Fe N3 P5
• 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: 13.9092 ± 0.0014 Å
• b: 14.2075 ± 0.0014 Å
• c: 21.287 ± 0.002 Å
• α: 72.199 ± 0.005°
• β: 78.434 ± 0.005°
• γ: 75.908 ± 0.005°
• Cell volume: 3848.3 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1153
• Residual factor for significantly intense reflections: 0.1005
• Weighted residual factors for significantly intense reflections: 0.2202
• Weighted residual factors for all reflections included in the refinement: 0.2293
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No