Information card for entry 7703650

Structure parameters

• Formula: C44 H36 Fe N10 O6
• Calculated formula: C44 H36 Fe N10 O6
• Title of publication: Heteroleptic iron(ii) complexes with naphthoquinone-type ligands.
• Authors of publication: Shiga, Takuya; Kumamaru, Rina; Newton, Graham N.; Oshio, Hiroki
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 5
• Pages of publication: 1485 - 1491
• a: 17.374 ± 0.003 Å
• b: 28.891 ± 0.006 Å
• c: 16.217 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8140 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0394
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0662
• Weighted residual factors for all reflections included in the refinement: 0.0689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No