Information card for entry 2020704

Structure parameters

• Chemical name: {2,3,7,8,12,13,17,18-Octaethyl-5-[(methylimino)methyl]porphyrinato-κ^4^<i>N</i>^21^,<i>N</i>^22^,<i>N</i>^23^,<i>N</i>^24^}palladium(II)
• Formula: C38 H47 N5 Pd
• Calculated formula: C38 H47 N5 Pd
• Title of publication: Structural explanation of the spectral features of the nonsymmetrical complex {2,3,7,8,12,13,17,18-octaethyl-5-[(methylimino)methyl]porphyrinato-κ^4^<i>N</i>^21^,<i>N</i>^22^,<i>N</i>^23^,<i>N</i>^24^}palladium(II)
• Authors of publication: Erzina, Dina R.; Zamilatskov, Ilya A.; Kurochkina, Nadezhda M.; Ponomarev, Gelii V.; Tafeenko, Victor A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 2
• Pages of publication: 68 - 71
• a: 29.525 ± 0.002 Å
• b: 4.94 ± 0.0008 Å
• c: 25.663 ± 0.0011 Å
• α: 90°
• β: 117.225 ± 0.001°
• γ: 90°
• Cell volume: 3328.4 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 4
• 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: 0.0835
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1662
• Weighted residual factors for all reflections included in the refinement: 0.1828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes