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Information card for entry 4089704
Preview
Coordinates | 4089704.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C76 H102 Cl2 N4 O4 Zr2 |
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Calculated formula | C76 H102 Cl2 N4 O4 Zr2 |
Title of publication | Unusual Benzyl Migration Reactivity in NHC-Bearing Group 4 Metal Chelates: Synthesis, Characterization, and Mechanistic Investigations |
Authors of publication | Romain, Charles; Specklin, David; Miqueu, Karinne; Sotiropoulos, Jean-Marc; Fliedel, Christophe; Bellemin-Laponnaz, Stéphane; Dagorne, Samuel |
Journal of publication | Organometallics |
Year of publication | 2015 |
Journal volume | 34 |
Journal issue | 20 |
Pages of publication | 4854 |
a | 14.3205 ± 0.0006 Å |
b | 29.0307 ± 0.0013 Å |
c | 19.0815 ± 0.0009 Å |
α | 90° |
β | 109.652 ± 0.001° |
γ | 90° |
Cell volume | 7470.8 ± 0.6 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
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 | 0.076 |
Residual factor for significantly intense reflections | 0.0614 |
Weighted residual factors for significantly intense reflections | 0.1488 |
Weighted residual factors for all reflections included in the refinement | 0.1675 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.141 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/4089704.html
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