Information card for entry 7702888

Structure parameters

• Formula: C32.75 H41 Cl2 Fe N9 O1.75
• Calculated formula: C32.75 H41 Cl2 Fe N9 O1.75
• Title of publication: Pyrazolyl methyls prescribe the electronic properties of iron(II) tetra(pyrazolyl)lutidine chloride complexes.
• Authors of publication: Morin, Tyler J.; Wanniarachchi, Sarath; Gwengo, Chengeto; Makura, Vitales; Tatlock, Heidi M.; Lindeman, Sergey V.; Bennett, Brian; Long, Gary J.; Grandjean, Fernande; Gardinier, James R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 31
• Pages of publication: 8024 - 8034
• a: 8.8463 ± 0.0002 Å
• b: 14.8263 ± 0.0003 Å
• c: 27.2431 ± 0.0005 Å
• α: 87.1914 ± 0.0015°
• β: 80.8572 ± 0.0017°
• γ: 87.1666 ± 0.0017°
• Cell volume: 3520.37 ± 0.13 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0769
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1358
• Weighted residual factors for all reflections included in the refinement: 0.1444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No