Information card for entry 4350126

Structure parameters

• Formula: C33 H32 Cl10 Co Cu N9 O7 P3
• Calculated formula: C33 H30 Cl10 Co Cu N9 O7 P3
• SMILES: [Co](Cl)(Cl)(Cl)[n]1c(cccc1)OP1(=NP23=[N]4[Cu](Cl)([n]5c(cccc5)O2)([n]2c(cccc2)OP4(=N1)Oc1ccccn1)[n]1c(cccc1)O3)Oc1ccccn1.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.O
• 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: 12.3851 ± 0.0008 Å
• b: 14.4997 ± 0.0009 Å
• c: 15.9015 ± 0.001 Å
• α: 114.399 ± 0.001°
• β: 108.646 ± 0.001°
• γ: 96.565 ± 0.001°
• Cell volume: 2361.5 ± 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: 0.0506
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.1163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No