Information card for entry 2234793

Structure parameters

• Chemical name: Bis(3,5-dimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)bis(3,3'',5,5''-tetramethyl- [1,1':3',1''-terphenyl]-2'-carboxylato-κ<i>O</i>)iron(II) dichloromethane monosolvate
• Formula: C57 H60 Cl2 Fe N4 O4
• Calculated formula: C57 H60 Cl2 Fe N4 O4
• SMILES: [Fe](OC(=O)c1c(c2cc(cc(c2)C)C)cccc1c1cc(C)cc(c1)C)(OC(=O)c1c(c2cc(cc(c2)C)C)cccc1c1cc(cc(c1)C)C)([n]1[nH]c(cc1C)C)[n]1[nH]c(cc1C)C.ClCCl
• Title of publication: Bis(3,5-dimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)bis(3,3'',5,5''-tetramethyl-[1,1':3',1''-terphenyl]-2'-carboxylato-κ<i>O</i>)iron(II) dichloromethane monosolvate
• Authors of publication: Jeon, Yeojin; Sivanesan, Dharmalingam; Yoon, Sungho
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: m631 - m632
• a: 12.363 ± 0.003 Å
• b: 14.796 ± 0.003 Å
• c: 16.735 ± 0.003 Å
• α: 111.11 ± 0.03°
• β: 91.19 ± 0.03°
• γ: 109.06 ± 0.03°
• Cell volume: 2665.8 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0617
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1436
• Weighted residual factors for all reflections included in the refinement: 0.1492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes