Information card for entry 7235331

Structure parameters

• Formula: C68.2 H107.5 Cd2 N4 O3.55
• Calculated formula: C68.2 H107.5 Cd2 N4 O3.55
• Title of publication: Intramolecular cyclization‒decyclization of new sterically hindered diiminophenol. Synthesis and coordination abilities
• Authors of publication: Abakumov, Gleb A.; Druzhkov, Nikolay O.; Egorova, Elena N.; Kocherova, Tatiana N.; Shavyrin, Andrey S.; Cherkasov, Anton V.
• Journal of publication: RSC Adv.
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 28
• Pages of publication: 14495
• a: 12.7219 ± 0.0002 Å
• b: 17.4042 ± 0.0004 Å
• c: 17.4215 ± 0.0004 Å
• α: 72.4734 ± 0.0019°
• β: 78.2835 ± 0.0017°
• γ: 73.561 ± 0.0017°
• Cell volume: 3498.53 ± 0.13 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: 0.089
• Residual factor for significantly intense reflections: 0.0748
• Weighted residual factors for significantly intense reflections: 0.1856
• Weighted residual factors for all reflections included in the refinement: 0.1943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No