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Information card for entry 1547531
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Coordinates | 1547531.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 2 |
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Formula | C262 H348 Ag8 Cl12 Cu8 |
Calculated formula | C262 H348 Ag8 Cl12 Cu8 |
SMILES | [Ag]12345[Cu]([C](#Cc6cc(cc(c6)C(C)(C)C)C(C)(C)C)[Ag]678[Cu]9[C]7([Ag]7[C]%10%11([Ag]%12([C]9#Cc9cc(cc(c9)C(C)(C)C)C(C)(C)C)[C]98([Ag]8%13[C]4([Cu]1[C](#Cc1cc(cc(c1)C(C)(C)C)C(C)(C)C)[Ag]1[C]([Ag]4%14%10[Cu]%10%11([Ag]%11%15([Cu]([C]4#[C]%14c4cc(cc(c4)C(C)(C)C)C(C)(C)C)[C]%11#Cc4cc(cc(c4)C(C)(C)C)C(C)(C)C)([Cu]([C]%12%15#Cc4cc(cc(c4)C(C)(C)C)C(C)(C)C)[C]%13#Cc4cc(cc(c4)C(C)(C)C)C(C)(C)C)[C]8%10#Cc4cc(cc(c4)C(C)(C)C)C(C)(C)C)[Cu]269[C]51#Cc1cc(cc(c1)C(C)(C)C)C(C)(C)C)([Cu][C]7#Cc1cc(cc(c1)C(C)(C)C)C(C)(C)C)#Cc1cc(cc(c1)C(C)(C)C)C(C)(C)C)#Cc1cc(cc(c1)C(C)(C)C)C(C)(C)C)#Cc1cc(cc(c1)C(C)(C)C)C(C)(C)C)#Cc1cc(cc(c1)C(C)(C)C)C(C)(C)C)#Cc1cc(cc(c1)C(C)(C)C)C(C)(C)C)[C]3#Cc1cc(cc(c1)C(C)(C)C)C(C)(C)C.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl |
Title of publication | Assembly of strongly phosphorescent hetero-bimetallic and -trimetallic [2]catenane structures based on a coinage metal alkynyl system |
Authors of publication | Chang, Xiao-Yong; Xu, Guang-Tao; Cao, Bei; Wang, Juan-Yu; Huang, Jie-Sheng; Che, Chi-Ming |
Journal of publication | Chem. Sci. |
Year of publication | 2017 |
a | 20.1746 ± 0.0012 Å |
b | 20.4429 ± 0.0012 Å |
c | 34.225 ± 0.002 Å |
α | 87.8191 ± 0.0017° |
β | 73.8816 ± 0.0016° |
γ | 72.2845 ± 0.0016° |
Cell volume | 12900.8 ± 1.3 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 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 | 0.0846 |
Residual factor for significantly intense reflections | 0.0803 |
Weighted residual factors for significantly intense reflections | 0.2342 |
Weighted residual factors for all reflections included in the refinement | 0.24 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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