Information card for entry 2207851

Structure parameters

• Chemical name: catena-poly[[iodocopper(I)]-μ-2,4,6,8,9,10-hexamethyl-2,4,6,8,9,10-hexaaza- 1,3,5,7-tetraphosphaadamantane-κ^2^P^1^:P^3^]
• Formula: C6 H18 Cu I N6 P4
• Calculated formula: C6 H18 Cu I N6 P4
• SMILES: I[Cu]1[P]23N(P4N(P(N2C)N([P]1(N4C)N3C)C)C)C
• Title of publication: A copper(I) coordination polymer containing an adamantane P‒N cage ligand
• Authors of publication: Sommer, Roger D.; Rheingold, Arnold L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: m74 - m76
• a: 8.4321 ± 0.0005 Å
• b: 11.6068 ± 0.0007 Å
• c: 16.2351 ± 0.001 Å
• α: 90°
• β: 94.863 ± 0.001°
• γ: 90°
• Cell volume: 1583.2 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for all reflections included in the refinement: 0.0691
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes