Information card for entry 2009667

Structure parameters

• Chemical name: Di(1-methylcytosinium) Tetrachlorocobaltate (II)
• Formula: C10 H16 Cl4 Co N6 O2
• Calculated formula: C10 H16 Cl4 Co N6 O2
• SMILES: Cn1c(=O)[nH+]c(cc1)N.[Cl-][Co](Cl)(Cl)[Cl-].Cn1c(=O)[nH+]c(cc1)N
• Title of publication: Bis(1-methylcytosinium) tetrachlorocobaltate(II), (C~5~H~8~N~3~O)~2~[CoCl~4~]
• Authors of publication: Hillgeris, Edda Claudia; Lippert, Bernhard
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 5
• Pages of publication: 670 - 671
• a: 12.561 ± 0.003 Å
• b: 8.075 ± 0.002 Å
• c: 17.855 ± 0.003 Å
• α: 90°
• β: 109.38 ± 0.02°
• γ: 90°
• Cell volume: 1708.4 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0442
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for all reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.0577
• Goodness-of-fit parameter for all reflections: 1.057
• Goodness-of-fit parameter for significantly intense reflections: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No