Information card for entry 7006623

Structure parameters

• Formula: C19 H30 Cu N6 O3 P
• Calculated formula: C19 H30 Cu N6 O3 P
• SMILES: [Cu]12([P](OC)(OC)OC)n3n(=C(n4[n]1c(cc4C)C)n1[n]2c(cc1C)C)c(cc3C)C
• Title of publication: Coinage metal complexes of tris(pyrazolyl)methanide [C(3,5-Me2pz)3]-: kappa3-coordination vs. backbone functionalisation.
• Authors of publication: Krummenacher, Ivo; Rüegger, Heinz; Breher, Frank
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 8
• Pages of publication: 1073 - 1081
• a: 10.392 ± 0.002 Å
• b: 11.069 ± 0.003 Å
• c: 11.705 ± 0.003 Å
• α: 96.346 ± 0.005°
• β: 104.986 ± 0.005°
• γ: 112.169 ± 0.005°
• Cell volume: 1171.4 ± 0.5 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0799
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1547
• Weighted residual factors for all reflections included in the refinement: 0.1694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No