Information card for entry 7028085

Structure parameters

• Formula: C44 H50 N2 P2
• Calculated formula: C44 H50 N2 P2
• SMILES: P(c1ccccc1)(c1ccccc1)[C@H]1[C@H](N=N[C@H]2[C@@]3(CC[C@H]([C@H]2P(c2ccccc2)c2ccccc2)C3(C)C)C)[C@@]2(CC[C@H]1C2(C)C)C
• Title of publication: Complexes of the (1R)-(+)-camphor azine diphosphines Z,Z-3,3′-Ph2PnC10H15N‒NC10H15PxPh2 and Z,Z-3,3′-Ph2PxC10H15N‒N C10H15PxPh2 (x = exo, n = endo) with Group 6 metal carbonyls: crystal structures of the ligands and fac-[W(CO)3(E,Z-Ph2PxC10H15 N‒NC10H15PxPh2)]
• Authors of publication: Shaw, Bernard L.; Iranpoor, Nasser; Perera, Sarath D.; Thornton-Pett, Mark; Vessey, Jonathan D.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 11
• Pages of publication: 1885
• a: 23.9559 ± 0.0012 Å
• b: 6.6755 ± 0.0004 Å
• c: 24.0682 ± 0.0012 Å
• α: 90°
• β: 103.882 ± 0.005°
• γ: 90°
• Cell volume: 3736.5 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0327
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for all reflections: 0.0792
• Weighted residual factors for significantly intense reflections: 0.0775
• Goodness-of-fit parameter for all reflections: 1.057
• Goodness-of-fit parameter for significantly intense reflections: 1.079
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No