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Information card for entry 7214733
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Coordinates | 7214733.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | (Ni2(B1)(L2)2)-13(H2O) |
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Chemical name | [Ni2(B1)(L2)2]-13(H2O) |
Formula | C56 H78 N14 Ni2 O21 |
Calculated formula | C56 H56 N14 Ni2 O21.165 |
Title of publication | Coordination polymers with mixed 4,4′-bipyridine-2,2′,6, 6′-tetracarboxylate and imidazole-containing ligands: synthesis, structure and properties |
Authors of publication | Chen, Min; Bai, Zheng-Shuai; Liu, Qing; Okamura, Taka-aki; Lu, Yi; Sun, Wei-Yin |
Journal of publication | CrystEngComm |
Year of publication | 2012 |
Journal volume | 14 |
Journal issue | 24 |
Pages of publication | 8642 |
a | 13.4995 ± 0.0019 Å |
b | 12.4212 ± 0.0014 Å |
c | 40.153 ± 0.006 Å |
α | 90° |
β | 108.438 ± 0.006° |
γ | 90° |
Cell volume | 6387.2 ± 1.5 Å3 |
Cell temperature | 200 K |
Ambient diffraction temperature | 200 K |
Number of distinct elements | 5 |
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 | 0.0693 |
Residual factor for significantly intense reflections | 0.0513 |
Weighted residual factors for significantly intense reflections | 0.1295 |
Weighted residual factors for all reflections included in the refinement | 0.1406 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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