Information card for entry 4305945

Structure parameters

• Formula: C48 H48 Cl4 Cu2 N12 O8 P4
• Calculated formula: C48 H48 Cl4 Cu2 N12 O8 P4
• SMILES: N1=P2(Oc3nccc(c3)C)Oc3cc(cc[n]3[Cu](Cl)(Cl)[n]3c(OP(=N2)(N=P2(N=P1(Oc1cc(cc[n]1[Cu](Cl)(Cl)[n]1c(O2)cc(cc1)C)C)Oc1cc(ccn1)C)Oc1cc(ccn1)C)Oc1cc(ccn1)C)cc(cc3)C)C
• Title of publication: Metal-Metal Communication in Copper(II) Complexes of Cyclotetraphosphazene Ligands
• Authors of publication: Eric W. Ainscough; Andrew M. Brodie; Ross J. Davidson; Boujemaa Moubaraki; Keith S. Murray; Carl A. Otter; Mark R. Waterland
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 9182 - 9192
• a: 14.2953 ± 0.0001 Å
• b: 10.5046 ± 0.0002 Å
• c: 18.2248 ± 0.0003 Å
• α: 90°
• β: 92.204 ± 0.001°
• γ: 90°
• Cell volume: 2734.73 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 87 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0404
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0658
• Weighted residual factors for all reflections included in the refinement: 0.0694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No