Crystallography Open Database

Information card for entry 7223161

Preview

Coordinates	7223161.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H41 Br3 Hg1.5 N4 O5.5 S1.5
Calculated formula	C38 H32 Br3 Hg1.5 N4 O4
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	17.7929 ± 0.0011 Å
b	17.7444 ± 0.0012 Å
c	28.2638 ± 0.0018 Å
α	90°
β	97.522 ± 0.001°
γ	90°
Cell volume	8846.8 ± 1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
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	0.0722
Residual factor for significantly intense reflections	0.0486
Weighted residual factors for significantly intense reflections	0.1105
Weighted residual factors for all reflections included in the refinement	0.1161
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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