Information card for entry 4309660

Structure parameters

• Chemical name: catena-Poly[bis(μ-(4-hydroxy-butyric acid-O,O")-bis(μ~2~- (tetraphenylimidophosphinato-O,O,O'))-(tetraphenylimidophosphinato- O,O')-dibarium
• Formula: C104 H96 Ba2 N4 O14 P8
• Calculated formula: C104 H96 Ba2 N4 O14 P8
• SMILES: [Ba]123([O](P(=NP(=[O]1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[Ba]14([O]3P(=NP(=[O]1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([O]=P(N=P(O4)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)/[O]=C(/O)CCCO)([O]=P(N=P(O2)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)/[O]=C(O)/CCCO
• Title of publication: Oxidative Degradation of Ethers Promoted by Strontium and Barium Tetraphenylimidodiphosphinates
• Authors of publication: Jesús Morales-Juárez; Raymundo Cea-Olivares; Mónica M. Moya-Cabrera; Vojtech Jancik; Verónica García-Montalvo; Rubén A. Toscano
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 6924 - 6926
• a: 10.678 ± 0.001 Å
• b: 14.646 ± 0.001 Å
• c: 18.326 ± 0.001 Å
• α: 109.106 ± 0.002°
• β: 98.516 ± 0.002°
• γ: 106.3 ± 0.001°
• Cell volume: 2506.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1562
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.1309
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No