Information card for entry 7003158

Structure parameters

• Formula: C16 H35 Cd N15 Ni2 S6
• Calculated formula: C16 H35 Cd N15 Ni2 S6
• Title of publication: Structural, magnetic, high-frequency and high-field EPR investigation of double-stranded heterometallic [{Ni(en)2}2(µ-NCS)4Cd(NCS)2]n·nCH3CN polymer self-assembled from cadmium oxide, nickel thiocyanate and ethylenediamine
• Authors of publication: Nesterova, Oksana V.; Petrusenko, Svitlana R.; Kokozay, Vladimir N.; Skelton, Brian W.; Jezierska, Julia; Linert, Wolfgang; Ozarowski, Andrew
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 11
• Pages of publication: 1431 - 1436
• a: 13.458 ± 0.002 Å
• b: 16.955 ± 0.003 Å
• c: 14.681 ± 0.003 Å
• α: 90°
• β: 91.873 ± 0.003°
• γ: 90°
• Cell volume: 3348.1 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for all reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections: 1.198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.198
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No