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Information card for entry 7202552
Preview
Coordinates | 7202552.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H12 Cd N14 |
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Calculated formula | C16 H12 Cd N14 |
SMILES | c1c[nH]c2c3[n](cc[nH]3)[Cd]3([n]12)(N=C=NC#N)([n]1cc[nH]c1c1[n]3cc[nH]1)N=C=NC#N |
Title of publication | Towards rational design of supramolecular helices using linear pseudohalides in Cd(ii) - 2,2?-biimidazole system |
Authors of publication | Jana, Atish Dipankar; Ghosh, Ananta Kumar; Ghoshal, Debajyoti; Mostafa, Golam; Chaudhuri, Nirmalendu Ray |
Journal of publication | CrystEngComm |
Year of publication | 2007 |
Journal volume | 9 |
Journal issue | 4 |
Pages of publication | 304 |
a | 13.3982 ± 0.0004 Å |
b | 7.7207 ± 0.0002 Å |
c | 19.1997 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1986.08 ± 0.09 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 60 |
Hermann-Mauguin space group symbol | P b c n |
Hall space group symbol | -P 2n 2ab |
Residual factor for all reflections | 0.0555 |
Residual factor for significantly intense reflections | 0.0544 |
Weighted residual factors for significantly intense reflections | 0.146 |
Weighted residual factors for all reflections included in the refinement | 0.147 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.142 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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