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Information card for entry 7002145
Preview
Coordinates | 7002145.cif |
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Original paper (by DOI) | HTML |
Formula | C38 H45 N5 O16 Zn4 |
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Calculated formula | C38 H45 N5 O16 Zn4 |
SMILES | [Zn]123([n]4c(cccc4C[O]2[Zn]2456[O]17[Zn]18([n]9c(cccc9CO1)C7)([O]1[Zn]([n]7c(cccc7CO)C1)([O]=C(O6)C)(OC(=O)C)[O]48Cc1[n]2c(ccc1)CO5)[O]=C(O3)C)CO)OC(=O)C.C(#N)C |
Title of publication | Assembly of unusual Zn-cluster compounds based on pyridinealcohol platforms |
Authors of publication | Anselmo, Daniele; Escudero-Adán, Eduardo C.; Benet-Buchholz, Jordi; Kleij, Arjan W. |
Journal of publication | Dalton Transactions |
Year of publication | 2009 |
Journal issue | 36 |
Pages of publication | 7368 - 7373 |
a | 17.1997 ± 0.0005 Å |
b | 15.3812 ± 0.0005 Å |
c | 16.676 ± 0.0004 Å |
α | 90° |
β | 100.403 ± 0.001° |
γ | 90° |
Cell volume | 4339.2 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 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 | 0.0602 |
Residual factor for significantly intense reflections | 0.0354 |
Weighted residual factors for significantly intense reflections | 0.0809 |
Weighted residual factors for all reflections included in the refinement | 0.0902 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7002145.html
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