Information card for entry 2007296

Structure parameters

• Chemical name: bis (guanidinium) (hydrogentriethylene tetraamine-hexaacetato) bismuthate III
• Formula: C20 H45 Bi N10 O16
• Calculated formula: C20 H37 Bi N10 O16
• SMILES: [Bi]12345678OC(=O)C[N]3(CC[N]4(CC(=O)O)CC(=O)O5)CC[N]6(CC(=O)O1)CC[N]7(CC(=O)O2)CC(=O)O8.C(=[NH2+])(N)N.C(=[NH2+])(N)N.O.O.O.O
• Title of publication: Bis(guanidinium) (Hydrogen triethylenetetraminehexaacetato)bismuthate(III) Tetrahydrate
• Authors of publication: Wullens, Hilda; Devillers, Michel; Tinant, Bernard; Declercq, Jean-Paul
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 6
• Pages of publication: 770 - 773
• a: 9.716 ± 0.003 Å
• b: 10.447 ± 0.004 Å
• c: 16.303 ± 0.006 Å
• α: 87.56 ± 0.03°
• β: 89.14 ± 0.03°
• γ: 88.1 ± 0.03°
• Cell volume: 1652.2 ± 1 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: 0.078
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for all reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections: 0.983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No