Information card for entry 7229034

Structure parameters

• Formula: C37 H36 Cl2 Cu2 N8 O16
• Calculated formula: C37 H36 Cl2 Cu2 N8 O15.999
• Title of publication: Study of the complex formation between the [Cu(bpca)]+ secondary building unit and the aromatic N donors 2,3,5,6-tetra(2-pyridyl)pyrazine (tppz) and 1,3-bis(4-pyridyl)propane (bpp)
• Authors of publication: Ribeiro, Eloisa O.; de Campos, Nathália R.; Doriguetto, Antônio C.; Barros, Wdeson P.; Ribeiro, Marcos A.; De Paula, Elgte E. B.; Stumpf, Humberto O.; Lloret, Francesc; Julve, Miguel; Marinho, Maria V.
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 12.7715 ± 0.0005 Å
• b: 13.2527 ± 0.0005 Å
• c: 14.5883 ± 0.0005 Å
• α: 116.24 ± 0.001°
• β: 101.36 ± 0.001°
• γ: 95.472 ± 0.001°
• Cell volume: 2124.09 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0542
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No