Information card for entry 7010853

Structure parameters

• Formula: C27 H31 Cl2 N3 P Rh
• Calculated formula: C27 H31 Cl2 N3 P Rh
• SMILES: [Rh]1234(Cl)(Cl)([P](c5ccccc5)(c5ccccc5)NNc5ncccc5)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C
• Title of publication: Synthesis and structure of novel rhodium complexes of multi-functionalised amine-phosphine ligands
• Authors of publication: Clarke, Matthew L.; Slawin, Alexandra M. Z.; Wheatley, Matthew V.; Woollins, J. Derek
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 23
• Pages of publication: 3421
• a: 20.1794 ± 0.0003 Å
• b: 14.2417 ± 0.0004 Å
• c: 20.7001 ± 0.0002 Å
• α: 90°
• β: 110.993 ± 0.002°
• γ: 90°
• Cell volume: 5554.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.178
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for all reflections: 0.1401
• Weighted residual factors for significantly intense reflections: 0.1019
• Goodness-of-fit parameter for all reflections: 0.952
• Goodness-of-fit parameter for significantly intense reflections: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No