Information card for entry 4318475

Structure parameters

• Formula: C31 H33 Cl2 Fe N5 O4
• Calculated formula: C31 H28 Cl2 Fe N5 O4
• Title of publication: A Periodic Walk: A Series of First-Row Transition Metal Complexes with the Pentadentate Ligand PY5
• Authors of publication: Robertus J. M. Klein Gebbink; Robert T. Jonas; Christian R. Goldsmith; T. Daniel P. Stack
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 4633 - 4641
• a: 12.8011 Å
• b: 14.3871 Å
• c: 16.5479 Å
• α: 90°
• β: 101°
• γ: 90°
• Cell volume: 2991.65 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0986
• Weighted residual factors for all reflections: 0.091
• Goodness-of-fit parameter for all reflections: 1.308
• Goodness-of-fit parameter for all reflections included in the refinement: 1.31
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No