Crystallography Open Database

Information card for entry 7000382

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Coordinates	7000382.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	?
Calculated formula	C22 H29 Cl Cr N O
SMILES	[Cr]12345(Cl)([N](=C(C=C(O1)C)C)c1c(cccc1C(C)C)C(C)C)[cH]1[cH]2[cH]3[cH]4[cH]51
Title of publication	Half-sandwich chromium(iii) complexes bearing β-ketoiminato and β-diketiminate ligands as catalysts for ethylene polymerization
Authors of publication	Huang, Yuan-Biao; Jin, Guo-Xin
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	5
Pages of publication	767 - 769
a	8.976 ± 0.006 Å
b	9.965 ± 0.006 Å
c	12.294 ± 0.008 Å
α	83.284 ± 0.009°
β	81.187 ± 0.009°
γ	81.543 ± 0.01°
Cell volume	1069.8 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1221
Residual factor for significantly intense reflections	0.0551
Weighted residual factors for significantly intense reflections	0.1341
Weighted residual factors for all reflections included in the refinement	0.1513
Goodness-of-fit parameter for all reflections included in the refinement	0.777
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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