Information card for entry 7709301

Structure parameters

• Formula: C82 H130 Ca N4 Na2 O6
• Calculated formula: C82 H130 Ca N4 Na2 O6
• Title of publication: 2-Imino-2,3-dihydrobenzoxazole-a useful platform for designing rare- and alkaline earth complexes with variable di- and trianionic O,N,N, ligands.
• Authors of publication: Basalov, Ivan V.; Kissel, Alexander A.; Nikolaevskaya, Elena N.; Druzhkov, Nikolai O.; Cherkasov, Anton V.; Long, Jérôme; Larionova, Joulia; Fukin, Georgy K.; Trifonov, Alexander A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2022
• Journal volume: 51
• Journal issue: 5
• Pages of publication: 1995 - 2004
• a: 23.397 ± 0.0013 Å
• b: 17.8742 ± 0.001 Å
• c: 20.0635 ± 0.0011 Å
• α: 90°
• β: 110.496 ± 0.001°
• γ: 90°
• Cell volume: 7859.5 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0603
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.1316
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No