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Information card for entry 8107275
Preview
Coordinates | 8107275.cif |
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Original paper (by DOI) | HTML |
Formula | C36 H36 Cd3 I2 N4 O8 |
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Calculated formula | C36 H36 Cd3 I2 N4 O8 |
SMILES | [Cd]1234([O]5[Cd]6789[O]1%10[Cd]1%11(I)([N](=Cc%12cccc(OC)c%12%10)CC[N]2=Cc2cccc(OC)c2[O]461)[O]9c1c([O]%11C)cccc1C=[N]7CC[N]8=Cc1cccc([O]3C)c15)I |
Title of publication | Crystal structure of diiodido-bis(6,6′-dimethoxy-2,2′-(ethane-1,2-diylbis(nitrilomethanylylidene)) diphenolato)tricadmium(II), C36H36Cd3I2N4O8 |
Authors of publication | Hu, Jin; Lu, Xin-Hua |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2022 |
Journal volume | 237 |
Journal issue | 6 |
Pages of publication | 997 - 999 |
a | 18.909 ± 0.004 Å |
b | 16.149 ± 0.003 Å |
c | 26.05 ± 0.005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 7955 ± 3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0458 |
Residual factor for significantly intense reflections | 0.0439 |
Weighted residual factors for significantly intense reflections | 0.0746 |
Weighted residual factors for all reflections included in the refinement | 0.0752 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.335 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
284092 (current) | 2023-05-31 | cif/ Adding structures of 8107275 via cif-deposit CGI script. |
8107275.cif |
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Users of the data should acknowledge the original authors of the
structural data.