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Information card for entry 7130822
Preview
Coordinates | 7130822.cif |
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Original paper (by DOI) | HTML |
Formula | C43 H49 Ca N5 Si2 |
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Calculated formula | C43 H49 Ca N5 Si2 |
Title of publication | [(Flu)-(CH2)2-(NHC)-CH2-(NHC)-(CH2)2-(Flu)]2-: an ‘all-organic’ hybrid and flexible ligand that enwraps a Ca2+ pseudo-tetrahedrally. |
Authors of publication | Baguli, Sudip; Das, Shovan; Chakraborty, Mahua; Goswami, Santu; Datta, Ayan; Mukherjee, Debabrata |
Journal of publication | Chemical Communications |
Year of publication | 2022 |
a | 9.5409 ± 0.0002 Å |
b | 15.2405 ± 0.0002 Å |
c | 15.82 ± 0.0002 Å |
α | 111.179 ± 0.002° |
β | 105.993 ± 0.001° |
γ | 97.243 ± 0.001° |
Cell volume | 1995.57 ± 0.07 Å3 |
Cell temperature | 100.01 ± 0.11 K |
Ambient diffraction temperature | 100.01 ± 0.11 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 | 0.0413 |
Residual factor for significantly intense reflections | 0.0352 |
Weighted residual factors for significantly intense reflections | 0.0908 |
Weighted residual factors for all reflections included in the refinement | 0.0944 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/7130822.html
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