Information card for entry 7000108

Structure parameters

• Formula: C32 H28 Cl5 Cu F6 N9 O6 P4
• Calculated formula: C32 H28 Cl5 Cu F6 N9 O6 P4
• SMILES: [Cu]1234(Cl)[N]5=P(N=P(N=P5(Oc5[n]3cccc5)Oc3[n]4cccc3)(Oc3ncccc3)Oc3ncccc3)(Oc3[n]1cccc3)Oc1[n]2cccc1.[P](F)(F)(F)(F)(F)[F-].C(Cl)Cl.C(Cl)Cl
• Title of publication: Copper(II) chloride complexes with multimodal ligands based on the cyclotriphosphazene platform.
• Authors of publication: Ainscough, Eric W.; Brodie, Andrew M.; Depree, Craig V.; Moubaraki, Boujemaa; Murray, Keith S.; Otter, Carl A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 20
• Pages of publication: 3337 - 3343
• a: 27.4168 ± 0.001 Å
• b: 14.594 ± 0.0005 Å
• c: 10.9247 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4371.2 ± 0.3 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 8
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.0859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No