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Information card for entry 4080586
Preview
Coordinates | 4080586.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H52 Cl5 Li O2 Zr2 |
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Calculated formula | C36 H52 Cl5 Li O2 Zr2 |
SMILES | [Cl]1[Zr]23456789%10([Cl][Zr]%11%12%13%14%15%16%171([Cl]2)([Cl][Li]([O]1CCCC1)([O]1CCCC1)[Cl]3)[c]1([c]%11([c]%12([c]2%13[c]%14([c]%15([c]%16([c]%1712)C)C)C)C)C)C)[c]1([c]4([c]5([c]26[c]7([c]8([c]9([c]%1012)C)C)C)C)C)C |
Title of publication | Synthesis and Characterization of Group 4 Permethylpentalene Dichloride Complexes |
Authors of publication | Cooper, Robert T.; Chadwick, F. Mark; Ashley, Andrew E.; O’Hare, Dermot |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 7 |
Pages of publication | 2228 |
a | 12.285 ± 0.0002 Å |
b | 12.7036 ± 0.0002 Å |
c | 12.6985 ± 0.0003 Å |
α | 90° |
β | 102.181 ± 0.0009° |
γ | 90° |
Cell volume | 1937.15 ± 0.06 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Ambient diffracton pressure | 101 kPa |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0505 |
Residual factor for significantly intense reflections | 0.0405 |
Weighted residual factors for all reflections | 0.1022 |
Weighted residual factors for significantly intense reflections | 0.0894 |
Weighted residual factors for all reflections included in the refinement | 0.1022 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9233 |
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/4080586.html
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Users of the data should acknowledge the original authors of the
structural data.