Information card for entry 4350127

Structure parameters

• Formula: C33 H32 Cl10 Cu N9 O7 P3 Zn
• Calculated formula: C33 H32 Cl10 Cu N9 O7 P3 Zn
• SMILES: [Cu]123([N]4=P(N=P(N=P4(Oc4[n]1cccc4)Oc1[n]2cccc1)(Oc1ncccc1)Oc1[n]([Zn](Cl)(Cl)Cl)cccc1)(Oc1ncccc1)Oc1[n]3cccc1)Cl.O.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl
• 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: 12.3771 ± 0.0008 Å
• b: 14.518 ± 0.001 Å
• c: 15.8869 ± 0.0011 Å
• α: 114.474 ± 0.001°
• β: 108.724 ± 0.001°
• γ: 96.447 ± 0.001°
• Cell volume: 2359 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0581
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.138
• Weighted residual factors for all reflections included in the refinement: 0.1432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No