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Information card for entry 1512139
Preview
Coordinates | 1512139.cif |
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Original paper (by DOI) | HTML |
Formula | C84 H96 Cl16 Cu4 N24 O52 |
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Calculated formula | C84 H96 Cl16 Cu4 N24 O52 |
Title of publication | On the Importance of Unprecedented Lone Pair‒Salt Bridge Interactions in Cu(II)‒Malonate‒2-Amino-5-Chloropyridine‒Perchlorate Ternary System |
Authors of publication | Mitra, Monojit; Manna, Prankrishna; Das, Amrita; Seth, Saikat Kumar; Helliwell, Madeleine; Bauzá, Antonio; Choudhury, Somnath Ray; Frontera, Antonio; Mukhopadhyay, Subrata |
Journal of publication | The Journal of Physical Chemistry A |
Year of publication | 2013 |
Journal volume | 117 |
Journal issue | 28 |
Pages of publication | 5802 |
a | 17.687 ± 0.004 Å |
b | 19.45 ± 0.005 Å |
c | 20.114 ± 0.005 Å |
α | 99.442 ± 0.004° |
β | 100.995 ± 0.004° |
γ | 115.031 ± 0.004° |
Cell volume | 5917 ± 3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0984 |
Residual factor for significantly intense reflections | 0.0574 |
Weighted residual factors for significantly intense reflections | 0.1189 |
Weighted residual factors for all reflections included in the refinement | 0.1366 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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