Crystallography Open Database

Information card for entry 7110234

Preview

Coordinates	7110234.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H20 Cl2 Hg N4
Calculated formula	C27 H20 Cl2 Hg N4
SMILES	[Hg]12(Cl)(Cl)[n]3ccccc3c3[n]1c(cc(c3)c1ccc(cc1)c1ccc(N)cc1)c1[n]2cccc1
Title of publication	A highly selective, Hg2+ triggered hydrogelation: modulation of morphology by chemical stimuli
Authors of publication	Biswa Nath Ghosh; Sandip Bhowmik; Prasenjit Mal; Kari Rissanen
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	734
a	9.2217 ± 0.001 Å
b	10.8168 ± 0.0012 Å
c	13.0876 ± 0.0017 Å
α	75.035 ± 0.005°
β	69.904 ± 0.006°
γ	83.819 ± 0.007°
Cell volume	1184.2 ± 0.2 Å³
Cell temperature	123 ± 0.1 K
Ambient diffraction temperature	123 ± 0.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.069
Residual factor for significantly intense reflections	0.0452
Weighted residual factors for significantly intense reflections	0.0918
Weighted residual factors for all reflections included in the refinement	0.1022
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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