Information card for entry 2234802

Structure parameters

• Chemical name: Bis(4,4''-difluoro-1,1':3',1''-terphenyl-2'-carboxylato-κ<i>O</i>)bis(3,5- dimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)manganese(II)
• Formula: C48 H38 F4 Mn N4 O4
• Calculated formula: C48 H38 F4 Mn N4 O4
• SMILES: Cc1cc(C)[nH][n]1[Mn]([n]1c(C)cc(C)[nH]1)(OC(=O)c1c(cccc1c1ccc(cc1)F)c1ccc(cc1)F)OC(=O)c1c(cccc1c1ccc(cc1)F)c1ccc(cc1)F
• Title of publication: Bis(4,4''-difluoro-1,1':3',1''-terphenyl-2'-carboxylato-κ<i>O</i>)bis(3,5-dimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)manganese(II)
• Authors of publication: Dharmalingam, Sivanesan; Jeon, Yeojin; Yoon, Sungho
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: m582 - m583
• a: 10.931 ± 0.0016 Å
• b: 13.668 ± 0.002 Å
• c: 15.541 ± 0.002 Å
• α: 69.283 ± 0.002°
• β: 88.854 ± 0.002°
• γ: 77.476 ± 0.002°
• Cell volume: 2116 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0528
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.1175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes