Crystallography Open Database

Information card for entry 4088944

Preview

Coordinates	4088944.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H29 Cl3 Cr N7 O2
Calculated formula	C23 H29 Cl3 Cr N7 O2
SMILES	[Cr]12(Cl)(Cl)(Cl)[n]3n(c(cc3C)C)c3[n]1c(ccc3)c1[nH]c3ccccc3[n]21.O=CN(C)C.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	8.127 ± 0.003 Å
b	19.795 ± 0.006 Å
c	17.268 ± 0.005 Å
α	90°
β	101.636 ± 0.005°
γ	90°
Cell volume	2720.9 ± 1.5 Å³
Cell temperature	173.15 K
Ambient diffraction temperature	173.15 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0759
Residual factor for significantly intense reflections	0.0639
Weighted residual factors for significantly intense reflections	0.143
Weighted residual factors for all reflections included in the refinement	0.15
Goodness-of-fit parameter for all reflections included in the refinement	1.131
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.	4088944.cif