Information card for entry 2217361

Structure parameters

• Chemical name: Bis[1,3-bis(diphenylphosphinoylimino)isoindolinato-κ^3^O,N,O']calcium(II)
• Formula: C64 H48 Ca N6 O4 P4
• Calculated formula: C64 H48 Ca N6 O4 P4
• SMILES: [Ca]1234([O]=P(c5ccccc5)(c5ccccc5)N=c5n1c(=NP(=[O]2)(c1ccccc1)c1ccccc1)c1c5cccc1)[O]=P(c1ccccc1)(c1ccccc1)N=c1n3c(=NP(=[O]4)(c2ccccc2)c2ccccc2)c2c1cccc2
• Title of publication: Bis[1,3-bis(diphenylphosphinoylimino)isoindolinato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']calcium(II)
• Authors of publication: Li, Zhiying; Shang, Donglin; Guo, Jianping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m160 - m160
• a: 26.351 ± 0.002 Å
• b: 12.479 ± 0.0011 Å
• c: 21.1997 ± 0.0019 Å
• α: 90°
• β: 126.172 ± 0.001°
• γ: 90°
• Cell volume: 5627.5 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0589
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1283
• Weighted residual factors for all reflections included in the refinement: 0.1351
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes