Information card for entry 4350129

Structure parameters

• Formula: C30 H24 Cl4 N9 O6 P3 Zn2
• Calculated formula: C30 H24 Cl4 N9 O6 P3 Zn2
• SMILES: [Zn]1(Cl)(Cl)[n]2c(OP3(Oc4[n]1cccc4)=NP1(Oc4[n]([Zn]5(Cl)(Cl)[N]=1P(Oc1[n]5cccc1)(Oc1ncccc1)=N3)cccc4)Oc1ncccc1)cccc2
• Title of publication: Di- and trinuclear complexes derived from hexakis(2-pyridyloxy)cyclotriphosphazene. Unusual P-O bond cleavage in the formation of [{(L'CuCl)2(Co(NO3)}Cl] (L' = N3P3(OC5H4N)5(O)).
• Authors of publication: Chandrasekhar, Vadapalli; Pandian, Balasubramanian Murugesa; Azhakar, Ramachandran
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 9
• Pages of publication: 3510 - 3518
• a: 18.964 ± 0.005 Å
• b: 14.599 ± 0.005 Å
• c: 32.075 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8880 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1696
• Residual factor for significantly intense reflections: 0.084
• Weighted residual factors for significantly intense reflections: 0.1741
• Weighted residual factors for all reflections included in the refinement: 0.2056
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No