Information card for entry 7000107

Structure parameters

• Formula: C30 H24 Cl2 Cu N9 O6 P3
• Calculated formula: C30 H24 Cl2 Cu N9 O6 P3
• SMILES: [Cu]12(Cl)(Cl)[N]3=P(Oc4[n]1cccc4)(Oc1ncccc1)N=P(Oc1ncccc1)(Oc1ncccc1)N=P3(Oc1[n]2cccc1)Oc1ncccc1
• 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: 10.028 ± 0.003 Å
• b: 11.413 ± 0.003 Å
• c: 16.835 ± 0.004 Å
• α: 72.85 ± 0.003°
• β: 88.883 ± 0.003°
• γ: 73.213 ± 0.003°
• Cell volume: 1758.1 ± 0.8 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No