Crystallography Open Database

Information card for entry 4088945

Preview

Coordinates	4088945.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H24 Cl3 Cr N6 O
Calculated formula	C21 H24 Cl3 Cr N6 O
SMILES	[Cr]12(Cl)(Cl)(Cl)[n]3n(c(cc3C)C)c3[n]1c(ccc3)c1[n]2c2c(n1C)cccc2.O=CN(C)C
Title of publication	2-Benzimidazol-6-pyrazol-pyridine Chromium(III) Trichlorides: Synthesis, Characterization, and Application for Ethylene Oligomerization and Polymerization
Authors of publication	Luo, Wenlong; Li, Antai; Liu, Shaofeng; Ye, Hongqi; Li, Zhibo
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	17
Pages of publication	3045
a	7.8822 ± 0.0019 Å
b	26.447 ± 0.006 Å
c	11.389 ± 0.003 Å
α	90°
β	93.064 ± 0.004°
γ	90°
Cell volume	2370.8 ± 1 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0702
Residual factor for significantly intense reflections	0.0616
Weighted residual factors for significantly intense reflections	0.1338
Weighted residual factors for all reflections included in the refinement	0.1388
Goodness-of-fit parameter for all reflections included in the refinement	1.121
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
237895 (current)	2019-11-24	cif/ Adding structures of 4088944, 4088945 via cif-deposit CGI script.	4088945.cif