Information card for entry 2017884

Structure parameters

• Chemical name: 2,2'-biimidazolium bis(2,2'-biimidazole-κ^2^<i>N</i>,<i>N</i>')bis(biphenyl- 2,4'-dicarboxylato-κ<i>O</i>)manganese(II) hexahydrate
• Formula: C46 H48 Mn N12 O14
• Calculated formula: C46 H48 Mn N12 O14
• SMILES: c1(ccccc1c1ccc(cc1)C(=O)[O-])C(=O)O[Mn]12([n]3c([nH]cc3)c3[n]1cc[nH]3)([n]1c([nH]cc1)c1[n]2cc[nH]1)OC(=O)c1ccccc1c1ccc(cc1)C(=O)[O-].[nH]1cc[nH+]c1c1[nH]cc[nH+]1.O.O.O.O.O.O
• Title of publication: A three-dimensional framework in 2,2'-biimidazolium bis(2,2'-biimidazole-κ^2^<i>N</i>,<i>N</i>')bis(biphenyl-2,4'-dicarboxylato-κ<i>O</i>)manganese(II) hexahydrate
• Authors of publication: Wang, Zi-Liang; Wei, Lin-heng; Li, Ming-Xue
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: m387 - m390
• a: 7.278 ± 0.001 Å
• b: 11.977 ± 0.002 Å
• c: 14.268 ± 0.001 Å
• α: 81.31 ± 0.002°
• β: 76.269 ± 0.001°
• γ: 85.793 ± 0.001°
• Cell volume: 1193.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes