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Information card for entry 4326659
Preview
Coordinates | 4326659.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H20 F12 Fe2 O2 P2 S2 |
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Calculated formula | C16 H20 F12 Fe2 O2 P2 S2 |
SMILES | C([Fe]123456([cH]7[cH]4[cH]3[cH]2[cH]17)[Fe]1234(C#[O])([cH]7[cH]4[cH]3[cH]2[cH]17)([S]5CC)[S]6CC)#[O].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Self-Assembly and Redox Modulation of the Cavity Size of an Unusual Rectangular Iron Thiolate Aryldiisocyanide Metallocyclophane |
Authors of publication | Pei-Chin Lin; Hsing-Yin Chen; Po-Yu Chen; Ming-Hsi Chiang; Michael Y. Chiang; Ting-Shen Kuo; Sodio C. N. Hsu |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 10825 - 10834 |
a | 10.236 ± 0.0002 Å |
b | 13.494 ± 0.0004 Å |
c | 17.629 ± 0.0004 Å |
α | 90° |
β | 90 ± 0.001° |
γ | 90° |
Cell volume | 2435 ± 0.1 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0811 |
Residual factor for significantly intense reflections | 0.0543 |
Weighted residual factors for significantly intense reflections | 0.1397 |
Weighted residual factors for all reflections included in the refinement | 0.1775 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.168 |
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/4326659.html
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Users of the data should acknowledge the original authors of the
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