Information card for entry 4329788

Structure parameters

• Formula: C94 H74 Cl2 Cu2 N14 Pt2
• Calculated formula: C94 H74 Cl2 Cu2 N14 Pt2
• SMILES: CC#N.c1(cc(n([n]1[Cu]1)[Pt](Cl)(n2c(cc([n]2[Cu][n]2c(cc(n2[Pt](Cl)(n2c(cc([n]12)c1ccccc1)c1ccccc1)[n]1c(cc([nH]1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)[n]1c(cc([nH]1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.CC#N
• Title of publication: Syntheses and Luminescent Properties of 3,5-Diphenylpyrazolato-Bridged Heteropolynuclear Platinum Complexes. The Influence of Chloride Ligands on the Emission Energy Revealed by the Systematic Replacement of Chloride Ligands by 3,5-Dimethylpyrazolate
• Authors of publication: Seiji Akatsu; Yasunori Kanematsu; Taka-aki Kurihara; Shota Sueyoshi; Yasuhiro Arikawa; Masayoshi Onishi; Shoji Ishizaka; Noboru Kitamura; Yoshihide Nakao; Shigeyoshi Sakaki; Keisuke Umakoshi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 7977 - 7992
• a: 18.3146 ± 0.0005 Å
• b: 22.6251 ± 0.0005 Å
• c: 19.7815 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8196.9 ± 0.4 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 6
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.214
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No