Information card for entry 4506937

Structure parameters

• Formula: C29 H55 Cu3 N12 O11 P4
• Calculated formula: C29 H55 Cu3 N12 O11 P4
• Title of publication: Unique Mixed-Valence Cu(I)/Cu(II) Coordination Polymer with New Topology of Bitubular 1D Chains Driven by 1,3,5-Triaza-7-phosphaadamantane (PTA)
• Authors of publication: Smoleński, Piotr; Kłak, Julia; Nesterov, Dmytro S.; Kirillov, Alexander M.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 12
• Pages of publication: 5852
• a: 12.1664 ± 0.0004 Å
• b: 13.0392 ± 0.0005 Å
• c: 13.1697 ± 0.0005 Å
• α: 93.064 ± 0.003°
• β: 107.195 ± 0.003°
• γ: 96.601 ± 0.003°
• Cell volume: 1974.2 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0738
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.0782
• Goodness-of-fit parameter for all reflections included in the refinement: 0.908
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No