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Information card for entry 4509894
Preview
Coordinates | 4509894.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16.5 H17 N0.5 Ni0.5 O3 S5 |
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Calculated formula | C16.5 H17 N0.5 Ni0.5 O3 S5 |
Title of publication | Design of Crystalline Spaces for Molecular Rotations in Crystals |
Authors of publication | Liu, Zun-qi; Kubo, Kazuya; Noro, Shin-ichiro; Akutagawa, Tomoyuki; Nakamura, Takayoshi |
Journal of publication | Crystal Growth & Design |
Year of publication | 2014 |
Journal volume | 14 |
Journal issue | 2 |
Pages of publication | 537 |
a | 29.326 ± 0.0012 Å |
b | 9.0664 ± 0.0004 Å |
c | 20.2033 ± 0.0008 Å |
α | 90° |
β | 132.153 ± 0.001° |
γ | 90° |
Cell volume | 3982.3 ± 0.3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0458 |
Residual factor for significantly intense reflections | 0.034 |
Weighted residual factors for significantly intense reflections | 0.0778 |
Weighted residual factors for all reflections included in the refinement | 0.1005 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.145 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4509894.cif |
104112 | 2014-03-10 | cif/ Adding structures of 4509894 via cif-deposit CGI script. |
4509894.cif |
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Users of the data should acknowledge the original authors of the
structural data.