Crystallography Open Database

Information card for entry 4082004

4082003 << 4082004 >> 4082005

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Coordinates	4082004.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H27 Cl3 Cr N P2
Calculated formula	C31 H27 Cl3 Cr N P2
SMILES	[Cr]12(Cl)(Cl)(Cl)[P](Cc3[n]2c(ccc3)C[P]1(c1ccccc1)c1ccccc1)(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	10.8747 ± 0.0015 Å
b	11.6006 ± 0.0015 Å
c	12.988 ± 0.0018 Å
α	97.703 ± 0.009°
β	91.157 ± 0.009°
γ	117.088 ± 0.008°
Cell volume	1439.4 ± 0.4 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	0.1406
Residual factor for significantly intense reflections	0.0848
Weighted residual factors for significantly intense reflections	0.203
Weighted residual factors for all reflections included in the refinement	0.2343
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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