Information card for entry 2204170

Structure parameters

• Chemical name: Bis(2-ammonio-5-chloropyridine) tetradecachlorohexamolybdate
• Formula: C10 H12 Cl16 Mo6 N4
• Calculated formula: C10 H12 Cl16 Mo6 N4
• SMILES: c1(ccc(cn1)Cl)[NH3+].[Cl]12[Mo]345678([Cl]9[Mo]%10%11%12%1313(Cl)[Cl]1[Mo]3%14%15%16%17%11([Cl]%11[Mo]%18%19%206%15([Cl]4[Mo]79%12%16%11%19([Cl]%103)Cl)([Cl]5[Mo]28%131%17%20([Cl]%14%18)Cl)Cl)Cl)Cl.c1(ccc(cn1)Cl)[NH3+]
• Title of publication: Bis(2-ammonio-5-chloropyridine) tetradecachlorohexamolybdate
• Authors of publication: Flemström, Andreas
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 9
• Pages of publication: m1303 - m1305
• a: 9.186 ± 0.006 Å
• b: 18.238 ± 0.008 Å
• c: 9.614 ± 0.006 Å
• α: 90°
• β: 100.81 ± 0.08°
• γ: 90°
• Cell volume: 1582.1 ± 1.6 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0335
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.178
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes