Information card for entry 7028086

Structure parameters

• Formula: C49 H56 N2 O4 P2 W
• Calculated formula: C49 H56 N2 O4 P2 W
• SMILES: [W]12([P](c3ccccc3)(c3ccccc3)[C@H]3C(=N[N]2=C2[C@@]4(CC[C@H]([C@H]2[P]1(c1ccccc1)c1ccccc1)C4(C)C)C)[C@@]1(CC[C@H]3C1(C)C)C)(C#[O])(C#[O])C#[O].OCC
• 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: 11.308 ± 0.002 Å
• b: 11.867 ± 0.003 Å
• c: 32.999 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4428.2 ± 1.6 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0293
• Residual factor for significantly intense reflections: 0.0226
• Weighted residual factors for all reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.0512
• Goodness-of-fit parameter for all reflections: 1.015
• Goodness-of-fit parameter for significantly intense reflections: 1.018
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No