Information card for entry 2224152

Structure parameters

• Chemical name: Tetraguanidinium bis[citrato(3-)]cuprate(II) dihydrate
• Formula: C16 H38 Cu N12 O16
• Calculated formula: C16 H38 Cu N12 O16
• SMILES: C(=[NH2+])(N)N.C(=[NH2+])(N)N.O1[Cu]234(OC(=O)CC(C1=O)(CC(=O)[O-])[OH]3)OC(=O)CC(C(=O)O2)(CC(=O)[O-])[OH]4.O.C(=[NH2+])(N)N.C(=[NH2+])(N)N.O
• Title of publication: Tetraguanidinium bis[citrato(3{-})]cuprate(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: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: m1540 - m1541
• a: 9.0426 ± 0.0001 Å
• b: 9.7763 ± 0.0002 Å
• c: 10.3366 ± 0.0002 Å
• α: 96.503 ± 0.001°
• β: 105.441 ± 0.001°
• γ: 112.306 ± 0.001°
• Cell volume: 791.01 ± 0.03 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0362
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes