Information card for entry 2210623

Structure parameters

• Chemical name: catena-poly[[(2-phenyl-1H-1,3,7,8,- tetraazacyclopenta[l]phenanthrene)manganese(II)]-μ-succinato]
• Formula: C23 H14 Mn N4 O4
• Calculated formula: C23 H14 Mn N4 O4
• SMILES: [Mn]123([n]4c5c6c(ccc[n]16)c1c(c5ccc4)nc(c4ccccc4)[nH]1)OC(=O)/C=C/C(=O)O[Mn]1([n]4c5c6c(ccc[n]16)c1c(c5ccc4)nc(c4ccccc4)[nH]1)OC(=O)/C=C/C(=[O]2)O[Mn]12([O]=C(/C=C/C(=O)O[Mn]4([n]5c6c7c(ccc[n]47)c4c(c6ccc5)nc(c5ccccc5)[nH]4)OC(=O)/C=C/C(=O)O2)O3)[n]2c3c4c(ccc[n]14)c1c(c3ccc2)nc(c2ccccc2)[nH]1
• Title of publication: <i>catena</i>-Poly[[(2-phenyl-1<i>H</i>-1,3,7,8,-tetraazacyclopenta[<i>l</i>]phenanthrene)manganese(II)]-μ-succinato]
• Authors of publication: Liang Wang; Guang-Bo Che; Chun-Bo Liu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: m2406 - m2408
• a: 13.92 ± 0.003 Å
• b: 9.879 ± 0.002 Å
• c: 28.548 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3925.8 ± 1.4 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 5
• Space group number: 54
• Hermann-Mauguin space group symbol: P c c a
• Hall space group symbol: -P 2a 2ac
• Residual factor for all reflections: 0.1019
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.1082
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes