Information card for entry 2211688

Structure parameters

• Chemical name: Poly-[[(2-phenyl-1H-1,3,7,8,-tetraazacyclopenta[l]phenanthrene)zinc(II)]- μ~3~-succinato]
• Formula: C23 H16 N4 O4 Zn
• Calculated formula: C23 H16 N4 O4 Zn
• SMILES: [Zn]123([n]4c5c(ccc4)c4[nH]c(nc4c4ccc[n]1c54)c1ccccc1)OC(=O)CCC(=O)O[Zn]1([n]4c5c(ccc4)c4[nH]c(nc4c4ccc[n]1c54)c1ccccc1)OC(=O)CCC(=[O]2)O[Zn]12([O]=C(O3)CCC(=O)O[Zn]3([n]4c5c(ccc4)c4[nH]c(nc4c4ccc[n]3c54)c3ccccc3)OC(=O)CCC(=O)O2)[n]2c3c(ccc2)c2[nH]c(nc2c2ccc[n]1c32)c1ccccc1
• Title of publication: Poly[[(2-phenyl-1<i>H</i>-1,3,7,8,-tetraazacyclopenta[<i>l</i>]phenanthrene)zinc(II)]-μ~3~-succinato]
• Authors of publication: Che, Guang-Bo; Sun, Jun; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: m3489 - m3490
• a: 13.819 ± 0.002 Å
• b: 9.757 ± 0.002 Å
• c: 28.098 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3788.5 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.103
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.136
• Weighted residual factors for all reflections included in the refinement: 0.152
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes