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Information card for entry 7038681
Preview
Coordinates | 7038681.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C112 H133 Er3 N6 |
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Calculated formula | C112 H133 Er3 N6 |
SMILES | [Er]1234([CH3][Er]567([CH3][Er]8([N](=C(N8c8c(cccc8C(C)C)C(C)C)c8ccccc8)c8c(cccc8C(C)C)C(C)C)([CH3]35)([CH3]46)[CH3]1)[N](=C(N7c1c(cccc1C(C)C)C(C)C)c1ccccc1)c1c(cccc1C(C)C)C(C)C)[N](=C(N2c1c(cccc1C(C)C)C(C)C)c1ccccc1)c1c(cccc1C(C)C)C(C)C.c1(ccccc1)C.c1(ccccc1)C |
Title of publication | Small molecule activation by mixed methyl/methylidene rare earth metal complexes. |
Authors of publication | Hong, Jianquan; Li, Zhenhua; Chen, Zhening; Weng, Linhong; Zhou, Xigeng; Zhang, Lixin |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 15 |
Pages of publication | 6641 - 6649 |
a | 17.8983 ± 0.0019 Å |
b | 18.311 ± 0.002 Å |
c | 22.046 ± 0.003 Å |
α | 77.147 ± 0.002° |
β | 75.721 ± 0.002° |
γ | 61.442 ± 0.002° |
Cell volume | 6103.6 ± 1.3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0877 |
Residual factor for significantly intense reflections | 0.0566 |
Weighted residual factors for significantly intense reflections | 0.1529 |
Weighted residual factors for all reflections included in the refinement | 0.1758 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7038681.html
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Users of the data should acknowledge the original authors of the
structural data.