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Information card for entry 7005522
Preview
Coordinates | 7005522.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H26 N8 O6 Re2 |
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Calculated formula | C42 H26 N8 O6 Re2 |
SMILES | [Re]12(n3c4ccccc4[n]4[Re]([n]5c(n1c1ccccc51)c34)([n]1c3ccccc3n(c1)Cc1ccccc1Cn1c3ccccc3[n]2c1)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O] |
Title of publication | Rigidity-modulated conformation control: a strategy for incorporating flexible building motifs into metallacycles |
Authors of publication | Sathiyendiran, Malaichamy; Chang, Che-Hao; Chuang, Chuan-Hung; Luo, Tzuoo-Tsair; Wen, Yuh-Sheng; Lu, Kuang-Lieh |
Journal of publication | Dalton Transactions |
Year of publication | 2007 |
Journal issue | 19 |
Pages of publication | 1872 |
a | 18.823 ± 0.0001 Å |
b | 10.481 ± 0.0001 Å |
c | 21.433 ± 0.0002 Å |
α | 90° |
β | 114.59° |
γ | 90° |
Cell volume | 3844.91 ± 0.06 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.035 |
Residual factor for significantly intense reflections | 0.0263 |
Weighted residual factors for significantly intense reflections | 0.0651 |
Weighted residual factors for all reflections included in the refinement | 0.0738 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.197 |
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/7005522.html
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Users of the data should acknowledge the original authors of the
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