Information card for entry 8101755

Structure parameters

• Chemical name: μ~3~-chloro-μ~3~-hydroxo-tri(μ-chloro)- tris[tetramethylethylenediaminenickel(II)] chloride
• Formula: C18 H49 Cl5 N6 Ni3 O
• Calculated formula: C18 H49 Cl5 N6 Ni3 O
• SMILES: [Ni]1234([Cl]5[Ni]67([Cl]1)([Cl][Ni]15([Cl]2)([OH]36)[N](CC[N]1(C)C)(C)C)[N](CC[N]7(C)C)(C)C)[N](CC[N]4(C)C)(C)C.[Cl-]
• Title of publication: Refinement of the crystal structure of μ3-chloro-μ3- hydroxo-tris(μ-chloro)-tris[tetramethylethylenediamine-nickel (II)] chloride, {[Ni(C~6~H~16~N~2~)]~3~Cl~4~OH}Cl
• Authors of publication: K. Miyamoto; R. Koizumi; E. Horn; Y. Fukuda
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 2
• Pages of publication: 226 - 228
• a: 10.748 ± 0.001 Å
• b: 16.038 ± 0.001 Å
• c: 18.019 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3106.1 ± 0.5 ų
• Cell temperature: 273.2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for all reflections included in the refinement: 0.0492
• Goodness-of-fit parameter for all reflections included in the refinement: 0.136
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No