Information card for entry 4323190

Structure parameters

• Formula: C29 H33 N7 Ni2 O3 S2
• Calculated formula: C124 H132 N28 Ni8 O20 S8
• 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: 14.165 ± 0.005 Å
• b: 15.198 ± 0.004 Å
• c: 17.395 ± 0.008 Å
• α: 90°
• β: 100.62 ± 0.04°
• γ: 90°
• Cell volume: 3681 ± 2 ų
• Cell temperature: 23 K
• Ambient diffraction temperature: 23 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.079
• Weighted residual factors for significantly intense reflections: 0.1
• Goodness-of-fit parameter for significantly intense reflections: 5.32
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKalpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No