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Information card for entry 8102475
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Coordinates | 8102475.cif |
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Chemical name | 1,2-bis(4-pyridyl)ethane hydrogen methyl ether-perchlorate, (C~12~H~12~N~2~)[(C~3~H~7~O)^+^(ClO~4~)^-^]' |
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Formula | C15 H21 Cl N2 O5 |
Calculated formula | C15 H21 Cl N2 O5 |
Title of publication | Crystal structure of hydrogen methyl ether perchlorate — 1,3-bis(4-pyridyl)propane (1:1), [C2H7O][ClO4] · C13H14N2 |
Authors of publication | Ping Liu; Lian Zhaoxun; Yuhuan Chen |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2009 |
Journal volume | 224 |
Journal issue | 4 |
Pages of publication | 571 |
a | 9.4697 ± 0.0013 Å |
b | 14.452 ± 0.002 Å |
c | 13.4624 ± 0.0019 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1842.4 ± 0.4 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 62 |
Hermann-Mauguin space group symbol | P n m a |
Hall space group symbol | -P 2ac 2n |
Residual factor for all reflections | 0.1035 |
Residual factor for significantly intense reflections | 0.0772 |
Weighted residual factors for significantly intense reflections | 0.2499 |
Weighted residual factors for all reflections included in the refinement | 0.2809 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.118 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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