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Information card for entry 7703666
Preview
Coordinates | 7703666.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C88 H80 B3 Co5 F12 N25 O4 |
---|---|
Calculated formula | C88 H78 B3 Co5 F12 N25 O4 |
SMILES | c1cccc2c3cc4c5cccc[n]5[Co]567[n]4n3[Co]348([n]12)[n]1ccccc1c1cc2c9cccc[n]9[Co]9%10([n]2n31)[n]1c(cc2c3cccc[n]3[Co]3%11([n]%12ccccc%12c%12cc(c%13cccc[n]6%13)[n]5n3%12)(n12)[n]1ccccc1c1cc2c3cccc[n]3[Co]3([n]5c(cc(c6cccc[n]46)n85)c4cccc[n]34)([n]2n%111)[OH]7%10)c1cccc[n]91.CCOCC.CCOCC.C(#N)C.O.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-] |
Title of publication | Effect of metal ion substitution on the catalytic activity of a pentanuclear metal complex. |
Authors of publication | Akai, Takuya; Kondo, Mio; Lee, Sze Koon; Izu, Hitoshi; Enomoto, Takafumi; Okamura, Masaya; Saga, Yutaka; Masaoka, Shigeyuki |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2020 |
Journal volume | 49 |
Journal issue | 5 |
Pages of publication | 1384 - 1387 |
a | 15.2146 ± 0.0006 Å |
b | 22.3485 ± 0.0008 Å |
c | 26.8017 ± 0.0012 Å |
α | 90° |
β | 102.122 ± 0.004° |
γ | 90° |
Cell volume | 8910 ± 0.6 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1469 |
Residual factor for significantly intense reflections | 0.075 |
Weighted residual factors for significantly intense reflections | 0.1828 |
Weighted residual factors for all reflections included in the refinement | 0.228 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
Diffraction radiation probe | x-ray |
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/7703666.html
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Users of the data should acknowledge the original authors of the
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