Information card for entry 1501603

Structure parameters

• Formula: C10 H20 Cl2 N10 O
• Calculated formula: C10 H20 Cl2 N10 O
• SMILES: NC(=N/C(=[NH+]/c1ccc(cc1)[NH+]=C(\N=C(N)N)N)/N)N.[Cl-].[Cl-].O
• Title of publication: Hydrogen-Bonded networks in crystals built from bis(biguanides) and their salts
• Authors of publication: Olivier Lebel; Thierry Maris; James D. Wuest
• Journal of publication: Can J. Chem
• Year of publication: 2006
• Journal volume: 84
• Pages of publication: 1426 - 1433
• a: 5.8749 ± 0.0008 Å
• b: 12.036 ± 0.005 Å
• c: 13.084 ± 0.005 Å
• α: 105.66 ± 0.03°
• β: 95.65 ± 0.03°
• γ: 102.12 ± 0.02°
• Cell volume: 859.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No