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Information card for entry 7217275
Preview
Coordinates | 7217275.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C60 H42 Cu6 O18 |
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Calculated formula | C60 H42 Cu6 O18 |
SMILES | C12c3ccc(cc3)OCc3cc4cc(c3)COc3ccc(C5=[O][Cu]678OC9c%10ccc(cc%10)OCc%10cc%11cc(c%10)COc%10ccc(cc%10)C%10=[O][Cu]%12%13(O1)[Cu]16([O]=2)(OC(=[O][Cu]81O5)c1ccc(OC%11)cc1)[Cu]17%12([O]=9)OC(=[O][Cu]%131O%10)c1ccc(OC4)cc1)cc3 |
Title of publication | A hexanuclear Cu(I) cluster supported by cuprophilic interaction: Effects of aromatics on luminescence properties |
Authors of publication | Chakraborty, Anindita; Kumar, Ramachandran Krishna; Yamijala, Sharma SRK Chaitanya; Pati, Swapan; Maji, Tapas Kumar |
Journal of publication | RSC Advances |
Year of publication | 2014 |
a | 11.0572 ± 0.0017 Å |
b | 11.7719 ± 0.0011 Å |
c | 12.2096 ± 0.0017 Å |
α | 69.518 ± 0.011° |
β | 67.483 ± 0.014° |
γ | 65.832 ± 0.012° |
Cell volume | 1303.8 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0855 |
Residual factor for significantly intense reflections | 0.0534 |
Weighted residual factors for significantly intense reflections | 0.1296 |
Weighted residual factors for all reflections included in the refinement | 0.1616 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
180503 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/72. |
7217275.cif |
120990 | 2014-07-31 | cif/ Adding structures of 7217275 via cif-deposit CGI script. |
7217275.cif |
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Users of the data should acknowledge the original authors of the
structural data.