Information card for entry 2225113

Structure parameters

• Chemical name: Diguanidinium bis(μ-2-hydroxypropane-1,2,3-tricarboxylato)bis[diaquazincate(II)] dihydrate
• Formula: C14 H34 N6 O20 Zn2
• Calculated formula: C14 H34 N6 O20 Zn2
• SMILES: C1(=O)C23CC(=O)O[Zn](O1)([OH]2)([OH2])([OH2])OC(=O)CC12C(=O)O[Zn](OC(=O)C3)([OH]2)(OC(=O)C1)([OH2])[OH2].C(=[NH2+])(N)N.O.C(=[NH2+])(N)N.O
• Title of publication: Diguanidinium bis(μ-2-hydroxypropane-1,2,3-tricarboxylato)bis[diaquazincate(II)] dihydrate
• Authors of publication: Al-Dajani, Mohammad T. M.; Abdallah, Hassan H.; Mohamed, Nornisah; Yeap, Chin Sing; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: m109 - m110
• a: 28.9405 ± 0.0004 Å
• b: 8.5708 ± 0.0001 Å
• c: 11.3395 ± 0.0002 Å
• α: 90°
• β: 95.249 ± 0.001°
• γ: 90°
• Cell volume: 2800.89 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0546
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0755
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes