Information card for entry 7126677

Structure parameters

• Formula: C17 H29 Cl4 Mo
• Calculated formula: C17 H29 Cl4 Mo
• SMILES: [Mo]1234(Cl)(Cl)(Cl)(Cl)[cH]5[c]1([c]2([cH]3[c]45C(C)(C)C)C(C)(C)C)C(C)(C)C
• Title of publication: A dinuclear Mo₂H₈ complex supported by bulky C₅H₂^tBu₃ ligands.
• Authors of publication: Ohki, Yasuhiro; Ishihara, Kodai; Yaoi, Moeko; Tada, Mizuki; Sameera, W. M. C.; Cramer, Roger E.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 58
• Pages of publication: 8035 - 8038
• a: 8.443 ± 0.002 Å
• b: 26.099 ± 0.006 Å
• c: 9.924 ± 0.003 Å
• α: 90°
• β: 113.425 ± 0.005°
• γ: 90°
• Cell volume: 2006.6 ± 0.9 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• 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: 0.0441
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0544
• Weighted residual factors for all reflections included in the refinement: 0.0569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No