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Information card for entry 7027294
Preview
Coordinates | 7027294.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C78 H84 B2 F18 N24 O8 P4 Zn4 |
---|---|
Calculated formula | C78 H84 B2 F18 N24 O8 P4 Zn4 |
SMILES | [BH]12n3ccc4[n]3[Zn]35([O]([Zn]67([n]8c(ccn28)c2cccc[n]62)n2c(c6cccc[n]76)cc[nH+]2)P2(=[O][Zn]6789[O]2[Zn]2%10([n]%11c(ccn%11[BH](n%11ccc(c%12cccc[n]7%12)[n]6%11)n6ccc(c7cccc[n]97)[n]86)c6cccc[n]26)[n]2c(cc[nH]2)c2cccc[n]%102)[O]3)([n]2c(ccn12)c1cccc[n]51)[n]1c4cccc1.CCOCC.CC(=O)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].CCOCC.CC(=O)C.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Effects of metal co-ordination geometry on self-assembly: a monomeric complex with trigonal prismatic metal co-ordination vs. tetrameric complexes with octahedral metal co-ordination |
Authors of publication | Paul, Rowena L.; Amoroso, Angelo J.; Jones, Peter L.; Couchman, Samantha M.; Reeves, Zoe R.; Rees, Leigh H.; Jeffery, John C.; McCleverty, Jon A.; Ward, Michael D. |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 1999 |
Journal issue | 10 |
Pages of publication | 1563 |
a | 18.291 ± 0.002 Å |
b | 22.321 ± 0.003 Å |
c | 24.103 ± 0.003 Å |
α | 90° |
β | 104.946 ± 0.013° |
γ | 90° |
Cell volume | 9508 ± 2 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 8 |
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 | 0.1106 |
Residual factor for significantly intense reflections | 0.0592 |
Weighted residual factors for all reflections | 0.1643 |
Weighted residual factors for significantly intense reflections | 0.1382 |
Goodness-of-fit parameter for all reflections | 1.025 |
Goodness-of-fit parameter for significantly intense reflections | 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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