Information card for entry 1568940

Structure parameters

• Formula: C130 H170 Mg4 N8 O8
• Calculated formula: C130 H170 Mg4 N8 O8
• SMILES: C12=[O][Mg]3(N(C(=CC(=[N]3c3c(cccc3C(C)C)C(C)C)C)C)c3c(C(C)C)cccc3C(C)C)[O]=C1C1=C2O[Mg]2([N](=C(C)C=C(N2c2c(cccc2C(C)C)C(C)C)C)c2c(cccc2C(C)C)C(C)C)OC2=C(C3=[O][Mg]4(N(C(=CC(=[N]4c4c(cccc4C(C)C)C(C)C)C)C)c4c(cccc4C(C)C)C(C)C)[O]=C23)O[Mg]2([N](=C(C)C=C(N2c2c(cccc2C(C)C)C(C)C)C)c2c(cccc2C(C)C)C(C)C)O1.c1ccccc1
• 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: 12.5268 ± 0.0003 Å
• b: 15.3082 ± 0.0004 Å
• c: 17.5288 ± 0.0004 Å
• α: 83.714 ± 0.002°
• β: 89.854 ± 0.002°
• γ: 65.992 ± 0.003°
• Cell volume: 3048.85 ± 0.15 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1008
• Residual factor for significantly intense reflections: 0.0792
• Weighted residual factors for significantly intense reflections: 0.1998
• Weighted residual factors for all reflections included in the refinement: 0.2118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No