Information card for entry 7135084

Structure parameters

• Formula: C8 H24 Cl6 Mo N2 Na
• Calculated formula: C8 H24 Cl6 Mo N2 Na
• Title of publication: One-dimensional magnetic halide double perovskites [N(CH₃)₄]₂M^IMoCl₆ (M^I = Na, Ag) with large A-site cations.
• Authors of publication: Binwal, Devesh Chandra; Vishnoi, Pratap
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 93
• Pages of publication: 18352 - 18355
• a: 9.0726 ± 0.0004 Å
• b: 6.8264 ± 0.0003 Å
• c: 15.7029 ± 0.0007 Å
• α: 90°
• β: 90.066 ± 0.002°
• γ: 90°
• Cell volume: 972.53 ± 0.07 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No