Crystallography Open Database

Information card for entry 7061156

Preview

Coordinates	7061156.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H66 Cl2 Er N3 O4
Calculated formula	C47 H66 Cl2 Er N3 O4
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	11.3647 ± 0.0011 Å
b	13.16 ± 0.0012 Å
c	17.0082 ± 0.0016 Å
α	93.144 ± 0.001°
β	95.993 ± 0.001°
γ	110.972 ± 0.001°
Cell volume	2350.6 ± 0.4 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	0.0469
Residual factor for significantly intense reflections	0.0368
Weighted residual factors for significantly intense reflections	0.0882
Weighted residual factors for all reflections included in the refinement	0.0927
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

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