Information card for entry 7135085

Structure parameters

• Formula: C8 H24 Ag Cl6 Mo N2
• Calculated formula: C7.9992 H23.9976 Ag Cl6 Mo N2
• 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: 9.054 ± 0.0008 Å
• b: 9.054 ± 0.0008 Å
• c: 6.7638 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 480.18 ± 0.09 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 6
• Space group number: 194
• Hermann-Mauguin space group symbol: P 63/m m c
• Hall space group symbol: -P 6c 2c
• Residual factor for all reflections: 0.0587
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1019
• Weighted residual factors for all reflections included in the refinement: 0.1067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.178
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No