Information card for entry 2213268

Structure parameters

• Common name: [N(CH2CH2NH3)3]2.(MoOF5)2.(F)2.H2O
• Chemical name: Bis[tris(2-ammonioethyl)amine] bis(pentafluoridooxidomolybdate) difluoride monohydrate
• Formula: C12 H44 F12 Mo2 N8 O3
• Calculated formula: C12 H44 F12 Mo2 N8 O3
• SMILES: [Mo](=O)(F)(F)(F)([F-])[F-].N(CC[NH3+])(CC[NH3+])CC[NH3+].[F-].O
• Title of publication: Bis[tris(2-ammonioethyl)amine] bis(pentafluoridooxidomolybdate) difluoride monohydrate
• Authors of publication: K. Adil; J. Marrot; M. Leblanc; V. Maisonneuve
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: m1511 - m1513
• a: 12.9666 ± 0.0008 Å
• b: 11.3068 ± 0.0006 Å
• c: 19.726 ± 0.0013 Å
• α: 90°
• β: 100.939 ± 0.002°
• γ: 90°
• Cell volume: 2839.5 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.096
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.1111
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes