Information card for entry 7005499

Structure parameters

• Formula: C31 H34 Cl3 Cr N2 P2 S
• Calculated formula: C31 H34 Cl3 Cr N2 P2 S
• SMILES: [Cr]1([P](N([P]1(c1ccccc1)c1ccccc1)CCCSC)(c1ccccc1)c1ccccc1)(Cl)(Cl)(Cl)[N]#CCC
• Title of publication: Chromium(III) catalysed ethylene tetramerization promoted by bis(phosphino)amines with an N-functionalized pendant.
• Authors of publication: Weng, Zhiqiang; Teo, Shihui; Andy Hor, T. S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 32
• Pages of publication: 3493 - 3498
• a: 11.213 ± 0.002 Å
• b: 16.453 ± 0.003 Å
• c: 34.766 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6414 ± 2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1024
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for significantly intense reflections: 0.1314
• Weighted residual factors for all reflections included in the refinement: 0.1432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No