Information card for entry 7111017

Structure parameters

• Formula: C28 H72 Cu2 N4 O2 P2 Si4
• Calculated formula: C28 H72 Cu2 N4 O2 P2 Si4
• SMILES: C[Si](C)(N1[Cu]2([N](=P1(C(C)(C)C)C(C)(C)C)[Si](C)(C)C)[OH][Cu]1([N](=P(N1[Si](C)(C)C)(C(C)(C)C)C(C)(C)C)[Si](C)(C)C)[OH]2)C
• Title of publication: A neutral dicopper(iii) bis(μ-oxo) complex from a copper(i) ethylene iminophosphanamide and O2
• Authors of publication: Straub, Bernd F.; Rominger, Frank; Hofmann, Peter
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 17
• Pages of publication: 1611
• a: 28.4009 ± 0.0007 Å
• b: 11.293 ± 0.0003 Å
• c: 16.937 ± 0.0005 Å
• α: 90°
• β: 126.604 ± 0.001°
• γ: 90°
• Cell volume: 4360.9 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1108
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1403
• Weighted residual factors for all reflections included in the refinement: 0.1638
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No