Information card for entry 1568615

Structure parameters

• Formula: C8 H28 Ag Cl8 Mo N4
• Calculated formula: C8 H28 Ag Cl8 Mo N4
• SMILES: C(CCC[NH3+])[NH3+].C(CCC[NH3+])[NH3+].[Ag](Cl)[Cl-].Cl[Mo](Cl)(Cl)([Cl-])([Cl-])[Cl-]
• Title of publication: Molybdenum chloride double perovskites: dimensionality control of optical and magnetic properties.
• Authors of publication: Binwal, Devesh Chandra; Mudoi, Prashurya Pritam; Panda, Debendra Prasad; Vishnoi, Pratap
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 15
• Pages of publication: 3982 - 3989
• a: 7.636 ± 0.002 Å
• b: 7.671 ± 0.002 Å
• c: 9.789 ± 0.003 Å
• α: 80.191 ± 0.012°
• β: 88.082 ± 0.012°
• γ: 89.402 ± 0.012°
• Cell volume: 564.7 ± 0.3 ų
• Cell temperature: 460 ± 2 K
• Ambient diffraction temperature: 460 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0643
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No