Information card for entry 2202252

Structure parameters

• Formula: C12 H20 Cl14 Mo6 N2 O2
• Calculated formula: C12 H20 Cl14 Mo6 N2 O2
• SMILES: c1(ccccc1)[NH3+].O.[Cl]12[Mo]345678([Cl]9[Mo]%10%11%12%13%144([Cl]4[Mo]%15%16159%10(Cl)[Cl]1[Mo]59%1028%15([Cl]3[Mo]237%139([Cl]%11[Mo]%144%161%103([Cl]52)Cl)([Cl]6%12)Cl)Cl)Cl)Cl.c1(ccccc1)[NH3+].O
• Title of publication: Dianilinium tetradecachlorohexamolybdate dihydrate, (PhNH~3~)~2~[(Mo~6~Cl~8~)Cl~6~]·2H~2~O
• Authors of publication: Andreas Flemström
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 4
• Pages of publication: m162 - m164
• a: 20.665 ± 0.008 Å
• b: 11.335 ± 0.003 Å
• c: 17.347 ± 0.006 Å
• α: 90°
• β: 126.21 ± 0.05°
• γ: 90°
• Cell volume: 3279 ± 3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.038
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.06
• Weighted residual factors for all reflections included in the refinement: 0.062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.37
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No