Information card for entry 4341311

Structure parameters

• Formula: C170.6 H157.2 N24 Ni4 O6.2 Pd4
• Calculated formula: C170.6 H157.2 N24 Ni4 O6.2 Pd4
• Title of publication: Heterometallic Pd(II)-Ni(II) Complexes with meso-Substituted Dibenzotetraaza[14]annulene: Double C-H Bond Activation and Formation of a Rectangular Tetradibenzotetraaza[14]annulene.
• Authors of publication: Khaledi, Hamid; Olmstead, Marilyn M.; Fukuda, Takamitsu; Mohd Ali, Hapipah
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 21
• Pages of publication: 11348 - 11350
• a: 17.0275 ± 0.001 Å
• b: 17.1072 ± 0.001 Å
• c: 18.7082 ± 0.0011 Å
• α: 96.944 ± 0.003°
• β: 112.56 ± 0.003°
• γ: 112.738 ± 0.003°
• Cell volume: 4403.5 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1088
• Residual factor for significantly intense reflections: 0.0764
• Weighted residual factors for significantly intense reflections: 0.222
• Weighted residual factors for all reflections included in the refinement: 0.2546
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.7749 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No