Information card for entry 4319507

Structure parameters

• Formula: C34 H52 Cu N4 P3 S2
• Calculated formula: C34 H52 Cu N4 P3 S2
• SMILES: [Cu]1([S]=P2(N(C(C)(C)C)P(=S)(N2C(C)(C)C)NC(C)(C)C)N1C(C)(C)C)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Preparation and X-ray Structures of Cu(I), Ni(II), and Pd(II) (N,S) Complexes of the Monoanion [(tBuN)(S)P(μ-NtBu)2P(S)(NHtBu)]- and a Pt(II) (S,S') Complex of the Dianion [(tBuN)(S)P(μ-NtBu)2P(S)(NtBu)]2-
• Authors of publication: Tristram Chivers; Chantall Fedorchuk; Mark Krahn; Masood Parvez; Gabriele Schatte
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 1936 - 1942
• a: 19.175 ± 0.004 Å
• b: 20.331 ± 0.004 Å
• c: 10.017 ± 0.006 Å
• α: 90°
• β: 91.79 ± 0.03°
• γ: 90°
• Cell volume: 3903 ± 3 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1542
• Residual factor for significantly intense reflections: 0.0736
• Weighted residual factors for significantly intense reflections: 0.2048
• Weighted residual factors for all reflections included in the refinement: 0.3044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No