Information card for entry 7702034

Structure parameters

• Formula: C34.6 H45.9 Br5 Cu5 K N5.3 O P3
• Calculated formula: C33.6 H46.1 Br4.96 Cu5 K N5.3 O0.75 P3
• Title of publication: 1,2,4-Triphospholyl anions - versatile building blocks for the formation of 1D, 2D and 3D assemblies.
• Authors of publication: Heindl, Claudia; Peresypkina, Eugenia V.; Virovets, Alexander V.; Komarov, Vladislav Yu; Scheer, Manfred
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 22
• Pages of publication: 10245 - 10252
• a: 19.5159 ± 0.0003 Å
• b: 25.8364 ± 0.0004 Å
• c: 13.6766 ± 0.0002 Å
• α: 90°
• β: 127.405 ± 0.001°
• γ: 90°
• Cell volume: 5477.94 ± 0.16 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 8
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.135
• Weighted residual factors for all reflections included in the refinement: 0.1394
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No