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Information card for entry 4113403
Preview
Coordinates | 4113403.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C86 H150 Cd11 N10 O5 Se19 Zn5 |
---|---|
Calculated formula | C86 Cd11 N10 O5 Se19 Zn5 |
SMILES | [Cd]12([Se]3[Cd]45[Se]6[Cd]7([Se]([Cd]89[Se]1[Zn]1([Se]%10%11[Cd]%12%13[Se]2[Zn]2([Se]4[Cd]4%14[Se]%15([Cd]%16([Se]7[Zn]7([Se]8[Cd]8%10[Se]%16[Cd]([Se]%134)([Se]([Cd]%11([Se]8c4ccccc4)[Se]c4ccccc4)c4ccccc4)[Se]([Cd]%15([Se]%14c4ccccc4)[Se]c4ccccc4)c4ccccc4)[N](CC[N]7(C)C)(C)C)[Se]59%12)[Zn]46[N](CC[N]4(C)C)(C)C)[N](CC[N]2(C)C)(C)C)[N](CC[N]1(C)C)(C)C)[Zn]13[N](CC[N]1(C)C)(C)C)[O]1CCCC1)[O]1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1 |
Title of publication | Zinc Chalcogenolate Complexes as Capping Agents in the Synthesis of Ternary II-II'-VI Nanoclusters: Structure and Photophysical Properties of [(N,N'-tmeda)5Zn5Cd11Se13(SePh)6(thf)2] |
Authors of publication | Marty W. DeGroot; Nicholas J. Taylor; John F. Corrigan |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2003 |
Journal volume | 125 |
Pages of publication | 864 - 865 |
a | 17.3933 ± 0.0014 Å |
b | 36.592 ± 0.003 Å |
c | 46.151 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 29373 ± 4 Å3 |
Cell temperature | 150 ± 1 K |
Ambient diffraction temperature | 150 ± 1 K |
Number of distinct elements | 7 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.1625 |
Residual factor for significantly intense reflections | 0.0927 |
Weighted residual factors for significantly intense reflections | 0.2018 |
Weighted residual factors for all reflections included in the refinement | 0.2183 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.176 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4113403.html
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