Information card for entry 2010078

Structure parameters

• Chemical name: ammonium cis-tetrachlorobispyridinemolybdate(III)-pyridine-water(1:1:0.5)
• Formula: C15 H20 Cl4 Mo N4 O0.5
• Calculated formula: C15 H20 Cl4 Mo N4 O0.5
• SMILES: [Mo](Cl)(Cl)(Cl)(Cl)([n]1ccccc1)[n]1ccccc1.n1ccccc1.[NH4+].O
• Title of publication: Ammonium <i>cis</i>-tetrachlorobispyridinemolybdate(III)‒pyridine‒water (1/1/0.5)
• Authors of publication: Leban, Ivan; Modec, Barbara; Brenčič, Jurij V.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 10
• Pages of publication: 1546 - 1548
• a: 7.384 ± 0.001 Å
• b: 32.637 ± 0.004 Å
• c: 8.86 ± 0.001 Å
• α: 90°
• β: 97.23 ± 0.02°
• γ: 90°
• Cell volume: 2118.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0835
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for all reflections: 0.1369
• Weighted residual factors for significantly intense reflections: 0.126
• Goodness-of-fit parameter for all reflections: 1.307
• Goodness-of-fit parameter for significantly intense reflections: 1.391
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No