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Information card for entry 4066852
Preview
Coordinates | 4066852.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H40 Mn3 N2 O9 Se3 |
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Calculated formula | C25 H40 Mn3 N2 O9 Se3 |
Title of publication | Selenium−Manganese Carbonyl Clusters: Synthesis, Reversible Transformation, Electrochemical Properties, and Theoretical Calculations |
Authors of publication | Ho, Chia-Hua; Chu, Yen-Yi; Lin, Chien-Nan; Chen, Horng-Wen; Huang, Chung-Yi; Shieh, Minghuey |
Journal of publication | Organometallics |
Year of publication | 2010 |
Journal volume | 29 |
Journal issue | 19 |
Pages of publication | 4396 |
a | 10.28 ± 0.0002 Å |
b | 12.077 ± 0.0002 Å |
c | 15.155 ± 0.0003 Å |
α | 104.021 ± 0.001° |
β | 97.014 ± 0.001° |
γ | 110.291 ± 0.001° |
Cell volume | 1667.67 ± 0.06 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.079 |
Residual factor for significantly intense reflections | 0.0689 |
Weighted residual factors for significantly intense reflections | 0.1807 |
Weighted residual factors for all reflections included in the refinement | 0.1948 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.123 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
178560 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/68. |
4066852.cif |
91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4066852.cif |
34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4066852.cif |
34006 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4066852, 4066853, 4066854, 4066855 via cif-deposit CGI script. |
4066852.cif |
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Users of the data should acknowledge the original authors of the
structural data.