Information card for entry 4501008

Structure parameters

• Formula: C4 H10 Cl2 N10 Zn
• Calculated formula: C4 H10 Cl2 N10 Zn
• SMILES: [n]1(ncn(c1N)N)[Zn](Cl)([n]1c(n(cn1)N)N)Cl
• Title of publication: (Di)-aminoguanidine Functionalization through Transamination: An Avenue to an Auspicious Class of Supramolecular Synthons
• Authors of publication: Naik, Anil D.; Tinant, Bernard; Léonard, Alexandre; Marchand-Brynaert, Jacqueline; Su, Bao-Lian; Garcia, Yann
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 9
• Pages of publication: 4034
• a: 13.358 ± 0.002 Å
• b: 9.694 ± 0.005 Å
• c: 10.999 ± 0.003 Å
• α: 90°
• β: 123.03 ± 0.03°
• γ: 90°
• Cell volume: 1194.1 ± 0.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.0409
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.166
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No