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Information card for entry 4506340
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Coordinates | 4506340.cif |
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Original paper (by DOI) | HTML |
Chemical name | catena-[(mu4-glutarato-K4-O,O',O'',O''')(9-methyladenine-kN7)copper(II)] |
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Formula | C11 H13 Cu N5 O4 |
Calculated formula | C11 H13 Cu N5 O4 |
Title of publication | Directing the Formation of Adenine Coordination Polymers from Tunable Copper(II)/Dicarboxylato/Adenine Paddle-Wheel Building Units |
Authors of publication | Pérez-Yáñez, Sonia; Beobide, Garikoitz; Castillo, Oscar; Cepeda, Javier; Luque, Antonio; Román, Pascual |
Journal of publication | Crystal Growth & Design |
Year of publication | 2012 |
Journal volume | 12 |
Journal issue | 6 |
Pages of publication | 3324 |
a | 7.8705 ± 0.0008 Å |
b | 8.5184 ± 0.0007 Å |
c | 11.2615 ± 0.0007 Å |
α | 69.155 ± 0.007° |
β | 77.225 ± 0.009° |
γ | 65.995 ± 0.009° |
Cell volume | 641.99 ± 0.11 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0433 |
Residual factor for significantly intense reflections | 0.035 |
Weighted residual factors for significantly intense reflections | 0.087 |
Weighted residual factors for all reflections included in the refinement | 0.0886 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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