Crystallography Open Database

Information card for entry 4082006

4082005 << 4082006 >> 4082007

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Coordinates	4082006.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H33 Al3 Cl2 Cr N P
Calculated formula	C33 H33 Al Cl3 Cr N P2
SMILES	[Cr]12(Cl)([Cl][Al](Cl)(C)C)[n]3c(cccc3C[P]2(c2ccccc2)c2ccccc2)C[P]1(c1ccccc1)c1ccccc1
Title of publication	Polymer-Free Ethylene Oligomerization Using a Pyridine-Based Pincer PNP-Type of Ligand
Authors of publication	Alzamly, Ahmed; Gambarotta, Sandro; Korobkov, Ilia
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	23
Pages of publication	7204
a	11.3819 ± 0.0003 Å
b	14.0201 ± 0.0004 Å
c	11.7219 ± 0.0003 Å
α	90°
β	114.619 ± 0.001°
γ	90°
Cell volume	1700.49 ± 0.08 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0489
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.0965
Weighted residual factors for all reflections included in the refinement	0.1032
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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