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Information card for entry 7028500
Preview
Coordinates | 7028500.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C70 H100 Cl2 N6 Ni3 O4 S3 |
---|---|
Calculated formula | C69.5625 H96 Cl1.125 N6 Ni3 O3.3125 S3 |
Title of publication | A streamlined synthesis of extended thiophloroglucinol ligands and their trinuclear Ni(II)3 complexes. |
Authors of publication | Feldscher, Bastian; Theil, Hubert; Stammler, Anja; Bögge, Hartmut; Glaser, Thorsten |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 10 |
Pages of publication | 4102 - 4114 |
a | 24.7936 ± 0.0005 Å |
b | 24.7936 ± 0.0005 Å |
c | 89.645 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 47724 ± 2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 146 |
Hermann-Mauguin space group symbol | R 3 :H |
Hall space group symbol | R 3 |
Residual factor for all reflections | 0.0928 |
Residual factor for significantly intense reflections | 0.0712 |
Weighted residual factors for significantly intense reflections | 0.1822 |
Weighted residual factors for all reflections included in the refinement | 0.1971 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
179991 (current) | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/85. |
7028500.cif |
105346 | 2014-03-12 | cif/ Adding structures of 7028497, 7028498, 7028499, 7028500 via cif-deposit CGI script. |
7028500.cif |
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Users of the data should acknowledge the original authors of the
structural data.