Crystallography Open Database

Information card for entry 7061158

Preview

Coordinates	7061158.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H66 Cl2 N3 O4 Yb
Calculated formula	C47 H66 Cl2 N3 O4 Yb
Title of publication	Synthesis, structure, and coordination chemistry of a neutral pyrrolyl-functionalized amidinate ligand
Authors of publication	Guo, Liping; Guo, Changjia; Peng, Shuqi; Song, Renyuan
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	5
Pages of publication	2465 - 2471
a	11.4 ± 0.01 Å
b	13.189 ± 0.012 Å
c	17.09 ± 0.05 Å
α	93.34 ± 0.09°
β	95.9 ± 0.04°
γ	111.1 ± 0.01°
Cell volume	2372 ± 8 Å³
Cell temperature	298.15 K
Ambient diffraction temperature	298.15 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	0.0451
Residual factor for significantly intense reflections	0.035
Weighted residual factors for significantly intense reflections	0.083
Weighted residual factors for all reflections included in the refinement	0.0878
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
272718 (current)	2022-02-04	cif/ Updating files of 7061153, 7061154, 7061155, 7061156, 7061157, 7061158, 7061159, 7061160, 7061161 Original log message: Adding full bibliography for 7061153--7061161.cif.	7061158.cif
271553	2021-12-21	cif/ Adding structures of 7061153, 7061154, 7061155, 7061156, 7061157, 7061158, 7061159, 7061160, 7061161 via cif-deposit CGI script.	7061158.cif