Information card for entry 7010078

Structure parameters

• Formula: C68 H92 Ni O4 P2
• Calculated formula: C68 H92 Ni O4 P2
• Title of publication: Isolation, structural and spectroscopic investigations of complexes with tridentate [O,P,O] and [O,O,O] donor ligands
• Authors of publication: Siefert, Rolf; Weyhermüller, Thomas; Chaudhuri, Phalguni
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 24
• Pages of publication: 4656
• a: 13.432 ± 0.001 Å
• b: 15.174 ± 0.002 Å
• c: 17.048 ± 0.002 Å
• α: 89.99 ± 0.02°
• β: 79 ± 0.02°
• γ: 72.07 ± 0.02°
• Cell volume: 3238.8 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1152
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for all reflections: 0.1412
• Weighted residual factors for significantly intense reflections: 0.1193
• Goodness-of-fit parameter for all reflections: 0.979
• Goodness-of-fit parameter for significantly intense reflections: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No