Crystallography Open Database

Information card for entry 7223166

Preview

Coordinates	7223166.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H38 Ag F6 N4 O5 P S
Calculated formula	C36 H32 Ag F5.98 N4 O4 P0.996667
Title of publication	Preparation and structure of NHC Hg(ii) and Ag(i) macrometallocycles
Authors of publication	Liu, Qing-Xiang; Liu, Rui; Ding, Yue; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Zhang, Wei
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	48
Pages of publication	9380
a	29.6014 ± 0.0016 Å
b	29.6014 ± 0.0016 Å
c	22.5 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	17074 ± 3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.1483
Residual factor for significantly intense reflections	0.1147
Weighted residual factors for significantly intense reflections	0.2926
Weighted residual factors for all reflections included in the refinement	0.3146
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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