Information card for entry 4337209

Structure parameters

• Formula: C24 H39 B F4 Mo2 N2 O S3
• Calculated formula: C24 H39 B F4 Mo2 N2 O S3
• SMILES: C[S]1[Mo]234567(C#[N]C(C)(C)C)([cH]8[cH]2[cH]3[cH]4[cH]58)[S](C)[Mo]234517(C#[N]C(C)(C)C)([cH]1[cH]2[cH]3[cH]4[cH]51)[S]6CCO.[B](F)(F)(F)[F-]
• Title of publication: Acid-base control of hemilabile proton-responsive protecting devices in dimolybdenum, thiolate-bridged complexes.
• Authors of publication: Le Goff, Alan; Vénec, David; Le Roy, Christine; Pétillon, François Y; Schollhammer, Philippe; Talarmin, Jean
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 4
• Pages of publication: 2200 - 2210
• a: 9.0236 ± 0.0003 Å
• b: 12.5884 ± 0.0003 Å
• c: 26.6685 ± 0.0007 Å
• α: 90°
• β: 97.331 ± 0.002°
• γ: 90°
• Cell volume: 3004.58 ± 0.15 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 8
• 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: 0.0556
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0709
• Weighted residual factors for all reflections included in the refinement: 0.0756
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No