Information card for entry 7003689

Structure parameters

• Formula: C90 H108 Cu4 P12
• Calculated formula: C90 H108 Cu4 P12
• SMILES: P1([P]2(c3ccccc3)[Cu]3([PH2]c4ccccc4)[P]4(c5ccccc5)[P]1(c1ccccc1)[Cu]1([P]([Cu]2[P](C2CCCC2)(C2CCCC2)C2CCCC2)(c2ccccc2)[P]3(c2ccccc2)P([P]1(c1ccccc1)[Cu]4[P](C1CCCC1)(C1CCCC1)C1CCCC1)c1ccccc1)[PH2]c1ccccc1)c1ccccc1
• Title of publication: Different transmetallation behaviour of [M(P4HR4)] salts toward rhodium(i) and copper(i) (M = Na, K; R = Ph, Mes; Mes = 2,4,6-Me3C6H2)
• Authors of publication: Gómez-Ruiz, Santiago; Wolf, Robert; Hey-Hawkins, Evamarie
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 15
• Pages of publication: 1982 - 1988
• a: 14.208 ± 0.005 Å
• b: 18.536 ± 0.005 Å
• c: 16.923 ± 0.005 Å
• α: 90 ± 0.005°
• β: 107.519 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 4250 ± 2 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 4
• 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: 0.0523
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.0786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No