Information card for entry 1558172

Structure parameters

• Common name: Bis(N1-isopropyl-2-methyl-1,2-propanediamine)isothiocyanatozinc(II) Thiocyanate
• Formula: C16 H36 N6 S2 Zn
• Calculated formula: C16 N6 S2 Zn
• SMILES: [Zn]12(N=C=S)([NH2]C(C[NH]1C(C)C)(C)C)[NH2]C(C[NH]2C(C)C)(C)C.[S-]C#N
• Title of publication: Crystal Structure of Bis(N1-isopropyl-2-methyl-1,2-propanediamine)isothiocyanatozinc(II) Thiocyanate
• Authors of publication: Pariya, Chandi; Chaudhuri, Nirmalendu Ray; Das, Asish; Seth, Shyamal Kumar
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1995
• Journal volume: 49
• Pages of publication: 859 - 864
• a: 13.339 ± 0.002 Å
• b: 12.066 ± 0.001 Å
• c: 14.572 ± 0.003 Å
• α: 90°
• β: 96.52 ± 0.01°
• γ: 90°
• Cell volume: 2330.2 ± 0.6 ų
• Ambient diffraction temperature: 293 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 significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No