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Information card for entry 1557955
Preview
Coordinates | 1557955.cif |
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Original paper (by DOI) | HTML |
Formula | C87 H77.33 F6 N12 O23.67 Ru3 |
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Calculated formula | C87 H77.3322 F6 N12 O23.6661 Ru3 |
Title of publication | Impact of substituents on molecular properties and catalytic activities of trinuclear Ru macrocycles in water oxidation |
Authors of publication | Meza-Chincha, Ana-Lucia; Lindner, Joachim O.; Schindler, Dorothee; Schmidt, David; Krause, Ana-Maria; Röhr, Merle I. S.; Mitrić, Roland; Würthner, Frank |
Journal of publication | Chemical Science |
Year of publication | 2020 |
Journal volume | 11 |
Journal issue | 29 |
Pages of publication | 7654 - 7664 |
a | 23.4927 ± 0.0005 Å |
b | 23.4927 ± 0.0005 Å |
c | 32.5166 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 15541.8 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 148 |
Hermann-Mauguin space group symbol | R -3 :H |
Hall space group symbol | -R 3 |
Residual factor for all reflections | 0.0395 |
Residual factor for significantly intense reflections | 0.0385 |
Weighted residual factors for significantly intense reflections | 0.1171 |
Weighted residual factors for all reflections included in the refinement | 0.1181 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.157 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
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257278 (current) | 2020-10-06 | cif/ Updating files of 1557955, 1557956 Original log message: Adding full bibliography for 1557955--1557956.cif. |
1557955.cif |
254933 | 2020-08-06 | cif/ Updating files of 1557955, 1557956 Original log message: Adding full bibliography for 1557955--1557956.cif. |
1557955.cif |
251296 | 2020-04-30 | cif/ Adding structures of 1557955, 1557956 via cif-deposit CGI script. |
1557955.cif |
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Users of the data should acknowledge the original authors of the
structural data.