Information card for entry 4323193

Structure parameters

• Formula: C58 H70 F12 N12 Ni4 O10 P2
• Calculated formula: C232 F48 N48 Ni16 O38 P8
• Title of publication: Dinuclear Nickel(II) Complexes of an Unsymmetric "End-Off" Compartmental Ligand: Conversion of Urea into Cyanate at a Dinuclear Nickel Core
• Authors of publication: Syunsuke Uozumi; Hideki Furutachi; Masaaki Ohba; Hisashi Ōkawa; David E. Fenton; Kenji Shindo; Susumu Murata; David J. Kitko
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 6281 - 6287
• a: 20.072 ± 0.007 Å
• b: 21.145 ± 0.006 Å
• c: 18.688 ± 0.006 Å
• α: 106.2 ± 0.02°
• β: 90.01 ± 0.03°
• γ: 88.73 ± 0.03°
• Cell volume: 7615 ± 4 ų
• Cell temperature: 23 K
• Ambient diffraction temperature: 23 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 significantly intense reflections: 0.092
• Weighted residual factors for significantly intense reflections: 0.103
• Goodness-of-fit parameter for significantly intense reflections: 2.51
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKalpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No