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Information card for entry 1565758
Preview
Coordinates | 1565758.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H64 Cl2 N16 Re6 Se8 |
---|---|
Calculated formula | C40 H64 Cl2 N16 Re6 Se8 |
SMILES | c1(cc([nH][n]1[Re]1234567[Re]89%10%11%12%13([n]%14c(cc(C)[nH]%14)C)[Re]%14%15%16%17%18%19([n]%20c(cc(C)[nH]%20)C)[Re]%20%21%22%231([n]1c(cc(C)[nH]1)C)([Re]28%14([n]1c(cc(C)[nH]1)C)([Se]%16%20)([Se]%11%17)([Se]6%22)[Se]7%13)[Re]39%15([n]1c(cc(C)[nH]1)C)([Se]4%10)([Se]5%21)([Se]%12%18)[Se]%19%23)C)C.c1(cc(C)[nH]n1)C.[Cl-].c1(cc(C)[nH]n1)C.[Cl-] |
Title of publication | Synthesis and luminescence properties of apically homoleptic octahedral rhenium clusters with pyrazole and 3,5-dimethylpyrazole |
Authors of publication | Konovalov, Dmitriy I.; Ivanov, Anton A.; Vorotnikov, Yuri A.; Brylev, Konstantin A.; Eltsov, Ilia V.; Kuratieva, Natalia V.; Kitamura, Noboru; Mironov, Yuri V.; Shestopalov, Michael A. |
Journal of publication | Inorganica Chimica Acta |
Year of publication | 2019 |
Journal volume | 498 |
Pages of publication | 119128 |
a | 12.0119 ± 0.0014 Å |
b | 18.418 ± 0.002 Å |
c | 13.5776 ± 0.0016 Å |
α | 90° |
β | 92.312 ± 0.004° |
γ | 90° |
Cell volume | 3001.4 ± 0.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.026 |
Residual factor for significantly intense reflections | 0.0186 |
Weighted residual factors for significantly intense reflections | 0.0413 |
Weighted residual factors for all reflections included in the refinement | 0.0431 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
Diffraction radiation probe | x-ray |
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/1565758.html
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