Information card for entry 2016845

Structure parameters

• Chemical name: poly[(μ~4~-biphenyl-2,2'-dicarboxylato)(dipyrido[3,2-a:2',3'- c]phenazine)manganese(II)]
• Formula: C46 H26 Mn2 N4 O8
• Calculated formula: C46 H26 Mn2 N4 O8
• SMILES: [Mn]123([n]4cccc5c6c(c7ccc[n]1c7c45)nc1c(cccc1)n6)[O]=C(c1ccccc1c1ccccc1C(=O)[O-])O[Mn]14[O]=C5c6ccccc6c6c(cccc6)C6=[O][Mn]78([O]69)([n]6cccc%10c%11c(c%12ccc[n]7c%12c6%10)nc6c(cccc6)n%11)[O]=C(O[Mn]96(O5)[O]=C(O1)c1ccccc1c1c(cccc1)C([O]24)=[O]3)c1ccccc1c1ccccc1C(=[O]1)O[Mn]234([n]5cccc7c9c(c%10ccc[n]4c%10c57)nc4c(cccc4)n9)[O]=C(c4ccccc4c4ccccc4C(=[O]8)O6)O[Mn]145[O]=C1c6ccccc6c6c(cccc6)C6=[O][Mn]7([O]68)([n]6cccc9c%10c(c%11ccc[n]7c%11c69)nc6c(cccc6)n%10)[O]=C(O[Mn]8(O1)[O]=C(O5)c1ccccc1c1c(cccc1)C([O]24)=[O]3)c1ccccc1c1ccccc1C(=O)[O-]
• Title of publication: A one-dimensional chain structure based on unusual tetranuclear manganese(II) clusters
• Authors of publication: Che, Guang-Bo; Wang, Jian; Liu, Chun-Bo; Li, Xiu-Ying; Liu, Bo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: m362 - m364
• a: 11.993 ± 0.002 Å
• b: 13.516 ± 0.003 Å
• c: 14.196 ± 0.003 Å
• α: 62.13 ± 0.03°
• β: 70.55 ± 0.02°
• γ: 82.24 ± 0.03°
• Cell volume: 1917.6 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.104
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes