Information card for entry 7042524

Structure parameters

• Formula: C19 H31 Cu N5 O2
• Calculated formula: C19 H31 Cu N5 O2
• Title of publication: Coordination abilities of polycyano anions in the solid state: coordination geometries and d-d transition energies of mixed-ligand solvatochromic copper(ii) complexes with B(CN)4, C(CN)3, and N(CN)2 anions.
• Authors of publication: Lan, Xue; Tominaga, Takumi; Mochida, Tomoyuki
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 15
• Pages of publication: 5041 - 5047
• a: 10.948 ± 0.01 Å
• b: 11.885 ± 0.011 Å
• c: 16.734 ± 0.015 Å
• α: 90°
• β: 91.091 ± 0.015°
• γ: 90°
• Cell volume: 2177 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0504
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1232
• Weighted residual factors for all reflections included in the refinement: 0.1269
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No