Information card for entry 7246426

Structure parameters

• Formula: C12 H28 Cl2 Mo N2 O2
• Calculated formula: C12 H28 Cl2 Mo N2 O2
• SMILES: [Mo]1(Cl)(Cl)([O](CC[O]1C)C)(=NC(C)(C)C)=NC(C)(C)C
• Title of publication: Disturbance of intermolecular forces: eutectics as a new tool for the preparation of vapor-phase deposition precursors.
• Authors of publication: Land, Michael A.; Robertson, Katherine N.; Clyburne, Jason A. C.; Barry, Seán T
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 12
• Pages of publication: 8336 - 8340
• a: 27.6725 ± 0.0006 Å
• b: 27.6725 ± 0.0006 Å
• c: 12.4913 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8283.9 ± 0.4 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 6
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.0352
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0424
• Weighted residual factors for all reflections included in the refinement: 0.0489
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No