Information card for entry 7249928

Structure parameters

• Formula: C186 H192 Ca3 N6 O6
• Calculated formula: C186 H192 Ca3 N6 O6
• Title of publication: Partial and complete hydrolysis of metal complexes based on monoiminoacenaphthene-1-ones
• Authors of publication: Lukoyanov, Anton N.; Zvereva, Yulia V.; Cherkasov, Anton V.; Zhigulin, Grigory Yu.; Kharitonov, Nikita P.; Ketkov, Sergey Yu.
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 12
• Pages of publication: 1749 - 1762
• a: 26.9692 ± 0.0016 Å
• b: 26.9692 ± 0.0016 Å
• c: 17.5013 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11023.9 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.139
• Residual factor for significantly intense reflections: 0.0895
• Weighted residual factors for significantly intense reflections: 0.215
• Weighted residual factors for all reflections included in the refinement: 0.2493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No