Information card for entry 8102065

Structure parameters

• Chemical name: (N^1^E,N^2^E)-N^1^,N^2^-bis(5-hydroxymethy-2-methyl-idin-3- pyrolate-4-ylmethylene)ethane-1,2-diamine nickel(II) dihydrochloride
• Formula: C18 H22 Cl2 N4 Ni O4
• Calculated formula: C18 H22 Cl2 N4 Ni O4
• Title of publication: Crystal structure of (N^1^E,N^2^E)-N^1^,N^2^-bis(5-hydroxymethyl-2- methyl-3-oxopyridinio-4-ylmethylene)ethane-1,2-diamine-nickel(II) dihydrochloride, [Ni(C~18~H~22~N~4~O~4~)]Cl~2~
• Authors of publication: Wen, P.-H.; Feng, Q.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2006
• Journal volume: 221
• Journal issue: 4
• Pages of publication: 501 - 502
• a: 10.4852 ± 0.0003 Å
• b: 18.6442 ± 0.0004 Å
• c: 10.8653 ± 0.0003 Å
• α: 90°
• β: 111.458 ± 0.001°
• γ: 90°
• Cell volume: 1976.81 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0401
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0764
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No