Information card for entry 4311752

Structure parameters

• Formula: C47 H66 Cl2 N2 O4 P2 Pd
• Calculated formula: C47 H66 Cl2 N2 O4 P2 Pd
• SMILES: [Pd]1([P](N(C(=O)N([P]1(Oc1ccc(cc1C(C)(C)C)C(C)(C)C)Oc1ccc(cc1C(C)(C)C)C(C)(C)C)C)C)(c1ccccc1)c1ccccc1)(Cl)Cl.O1CCCC1
• Title of publication: (R/S)A2- or (R,S/S,R)p,p'-[Pd(κ2-P,P-{P(OC6H3But2-2,4)2N(Me)C(O)N(Me)PPh2}Cl2]: Chirality Created by Ring Tilting
• Authors of publication: Olaf Kühl; Steffen Blaurock
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 6543 - 6545
• a: 11.0035 ± 0.0016 Å
• b: 12.3234 ± 0.0018 Å
• c: 19.092 ± 0.003 Å
• α: 104.548 ± 0.003°
• β: 99.17 ± 0.003°
• γ: 91.801 ± 0.003°
• Cell volume: 2466.9 ± 0.6 ų
• Cell temperature: 215 ± 2 K
• Ambient diffraction temperature: 215 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.088
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.1388
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No