Crystallography Open Database

Information card for entry 4085937

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Coordinates	4085937.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H37 Ag F2 N2
Calculated formula	C28 H37 Ag F2 N2
Title of publication	Well-Defined, Shelf-Stable (NHC)Ag(CF2H) Complexes for Difluoromethylation
Authors of publication	Gu, Yang; Chang, Dalu; Leng, Xuebing; Gu, Yucheng; Shen, Qilong
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	12
Pages of publication	3065
a	19.692 ± 0.01 Å
b	11.277 ± 0.006 Å
c	12.611 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	2800 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0684
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.0798
Weighted residual factors for all reflections included in the refinement	0.0919
Goodness-of-fit parameter for all reflections included in the refinement	0.959
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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