Information card for entry 1568938

Structure parameters

• Formula: C18 H20 Mo N4 O4
• Calculated formula: C18 H20 Mo N4 O4
• SMILES: [Mo]([n]1ccc(N(C)C)cc1)(C#[O])(C#[O])([n]1ccc(N(C)C)cc1)(C#[O])C#[O]
• Title of publication: Molybdenum carbonyl assisted reductive tetramerization of CO by activated magnesium(i) compounds: squarate dianion <i>vs.</i> metallo-ketene formation.
• Authors of publication: Yuvaraj, K.; Mullins, Jeremy C.; Rajeshkumar, Thayalan; Douair, Iskander; Maron, Laurent; Jones, Cameron
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 19
• Pages of publication: 5188 - 5195
• a: 29.705 ± 0.006 Å
• b: 9.751 ± 0.002 Å
• c: 14.098 ± 0.003 Å
• α: 90°
• β: 105.68 ± 0.03°
• γ: 90°
• Cell volume: 3931.6 ± 1.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0297
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No