Information card for entry 2012565

Structure parameters

• Common name: Trichloro(N, N-dimethylbiguanidium)zinc(II)
• Chemical name: Trichloro(1,1-dimethylbiguanidium-κN^3^)zinc(II)
• Formula: C4 H12 Cl3 N5 Zn
• Calculated formula: C4 H12 Cl3 N5 Zn
• SMILES: [Zn](Cl)(Cl)(Cl)[N](C(=[NH2+])N)=C(N)N(C)C
• Title of publication: Trichloro(1,1-dimethylbiguanidium-κ<i>N</i>^3^)zinc(II)
• Authors of publication: Zhu, Miaoli; Lu, Liping; Jin, Xianglin; Yang, Pin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 3
• Pages of publication: m158 - m159
• a: 12.504 ± 0.0007 Å
• b: 7.517 ± 0.0005 Å
• c: 13.0894 ± 0.0005 Å
• α: 90°
• β: 113.237 ± 0.003°
• γ: 90°
• Cell volume: 1130.5 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.031
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.046
• Weighted residual factors for all reflections included in the refinement: 0.048
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes