Information card for entry 7045136

Structure parameters

• Formula: C50 H54 Cl2 Mn N10 O2
• Calculated formula: C50 H51 Cl2 Mn N10 O2
• Title of publication: Temperature- and excitation wavelength-dependent emission in a manganese(ii) complex.
• Authors of publication: Berezin, Alexey S.; Vinogradova, Katerina A.; Nadolinny, Vladimir A.; Sukhikh, Taisiya S.; Krivopalov, Viktor P.; Nikolaenkova, Elena B.; Bushuev, Mark B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 5
• Pages of publication: 1657 - 1665
• a: 11.6451 ± 0.0003 Å
• b: 17.7149 ± 0.0005 Å
• c: 23.7054 ± 0.0007 Å
• α: 90°
• β: 101.509 ± 0.001°
• γ: 90°
• Cell volume: 4791.9 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1062
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1331
• Weighted residual factors for all reflections included in the refinement: 0.1563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No