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Information card for entry 4084448
Preview
Coordinates | 4084448.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C76 H86 B2 Cl16 N8 O2 Zr2 |
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Calculated formula | C76 H86 B2 Cl16 N8 O2 Zr2 |
Title of publication | Neutral and Cationic Zirconium Hydrides Supported by a Dianionic (NNNN)-Type Macrocycle Ligand |
Authors of publication | Kulinna, Heiko; Spaniol, Thomas P.; Okuda, Jun |
Journal of publication | Organometallics |
Year of publication | 2015 |
Journal volume | 34 |
Journal issue | 11 |
Pages of publication | 2160 |
a | 14.8816 ± 0.001 Å |
b | 16.6278 ± 0.0011 Å |
c | 17.9682 ± 0.0012 Å |
α | 87.5515 ± 0.0011° |
β | 66.8464 ± 0.001° |
γ | 85.0735 ± 0.0011° |
Cell volume | 4072.8 ± 0.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0875 |
Residual factor for significantly intense reflections | 0.0613 |
Weighted residual factors for significantly intense reflections | 0.165 |
Weighted residual factors for all reflections included in the refinement | 0.188 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4084448.cif |
140215 | 2015-07-05 | cif/ Updating files of 4084445, 4084446, 4084447, 4084448 Original log message: Adding full bibliography for 4084445--4084448.cif. |
4084448.cif |
125039 | 2014-10-07 | cif/ Adding structures of 4084445, 4084446, 4084447, 4084448 via cif-deposit CGI script. |
4084448.cif |
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Users of the data should acknowledge the original authors of the
structural data.