Information card for entry 1568937

Structure parameters

• Formula: C18 H24 Mo N4 O4
• Calculated formula: C18 H24 Mo N4 O4
• SMILES: [Mo](C#[O])(C#[O])(C#[O])(C#[O])(=C1N(C)C(C)=C(N1C)C)=C1N(C)C(C)=C(N1C)C
• 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: 16.1752 ± 0.0002 Å
• b: 8.3402 ± 0.0001 Å
• c: 16.1713 ± 0.0002 Å
• α: 90°
• β: 112.533 ± 0.001°
• γ: 90°
• Cell volume: 2015.04 ± 0.05 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• 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: 0.0243
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.0636
• Weighted residual factors for all reflections included in the refinement: 0.064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No