Information card for entry 7037139

Structure parameters

• Formula: C102 H102 Mg2 N2 O4
• Calculated formula: C102 H102 Mg2 N2 O4
• SMILES: [C@@]1(C(=[N]2c3c(cccc3C(C)C)C(C)C)c3c4c1cccc4ccc3)([O]1[Mg]2([O]2CCCC2)(C#Cc2ccccc2)[O]2[C@]3(C(c4c5c3cccc5ccc4)=[N](c3c(cccc3C(C)C)C(C)C)[Mg]12(C#Cc1ccccc1)[O]1CCCC1)C(=C)c1ccccc1)C(=C)c1ccccc1.c1(ccccc1)C.c1(ccccc1)C
• Title of publication: Addition of phenylacetylene to a magnesium complex of monoiminoacenaphtheneone (dpp-mian).
• Authors of publication: Razborov, D. A.; Lukoyanov, A. N.; Baranov, E. V.; Fedushkin, I. L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 47
• Pages of publication: 20532 - 20541
• a: 10.83521 ± 0.00013 Å
• b: 13.2253 ± 0.0002 Å
• c: 15.70481 ± 0.00019 Å
• α: 97.5746 ± 0.0012°
• β: 99.7585 ± 0.001°
• γ: 110.407 ± 0.0014°
• Cell volume: 2033.84 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.044
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No