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Information card for entry 7023048
Preview
Coordinates | 7023048.cif |
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Original paper (by DOI) | HTML |
Chemical name | Poly[[tetrakis(mu-pyrazine-KN:KN')dicopper(I)] diperchlorate-benzoic acid-water (1/1/1)] |
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Formula | C53 H52 Cl4 Cu4 N16 O23 |
Calculated formula | C53 H52 Cl4 Cu4 N16 O23 |
Title of publication | Cu(I), Co(II) and Fe(II) coordination polymers with pyrazine and benzoate as ligands. Spin crossover, spin canting and metamagnetism phenomena. |
Authors of publication | Amo-Ochoa, Pilar; Castillo, Oscar; Zamora, Félix |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2013 |
Journal volume | 42 |
Journal issue | 37 |
Pages of publication | 13453 - 13460 |
a | 10.837 ± 0.003 Å |
b | 18.131 ± 0.004 Å |
c | 17.561 ± 0.005 Å |
α | 90° |
β | 104.301 ± 0.018° |
γ | 90° |
Cell volume | 3343.6 ± 1.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0635 |
Residual factor for significantly intense reflections | 0.0479 |
Weighted residual factors for significantly intense reflections | 0.1217 |
Weighted residual factors for all reflections included in the refinement | 0.1347 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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