Information card for entry 8107472

Structure parameters

• Common name: trans-diaqua-bis(N4-methyl-S-methylisothiosemicarbazide)nickel(II) iodide semihydrate
• Chemical name: trans-diaqua-bis(methyl (E)-methylcarbamohydrazonothioate)nickel(II) iodide semihydrate
• Formula: C6 H23 I2 N6 Ni O2.5 S2
• Calculated formula: C6 H23 I2 N6 Ni O2.5 S2
• Title of publication: Crystal structure of trans-diaqua-bis(methyl methylcarbamohydrazonothioato-κ2 N,N′) nickel(II) iodide semihydrate, C6H22N6O2NiS2I2·0.5H2O
• Authors of publication: Belošević, Svetlana; Leovac, Vukadin M.; Radanović, Mirjana M.; Bogdanović, Milica G.; Radnović, Nikola D.; Rodić, Marko V.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 3
• Pages of publication: 475 - 477
• a: 8.2282 ± 0.0004 Å
• b: 21.92 ± 0.0007 Å
• c: 11.4906 ± 0.0004 Å
• α: 90°
• β: 109.451 ± 0.004°
• γ: 90°
• Cell volume: 1954.19 ± 0.14 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0494
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.202
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No