Crystallography Open Database

Information card for entry 7229930

Preview

Coordinates	7229930.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H13 Hg I N4 O
Calculated formula	C18 H13 Hg I N4 O
Title of publication	Recurrent supramolecular motifs in discrete complexes and coordination polymers based on mercury halides: prevalence of chelate ring stacking and substituent effects
Authors of publication	Mahmoudi, Ghodrat; Zaręba, Jan K.; Bauzá, Antonio; Kubicki, Maciej; Bartyzel, Agata; Keramidas, Anastasios D.; Butusov, Leonid; Mirosław, Barbara; Frontera, Antonio
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	8
Pages of publication	1065
a	10.7093 ± 0.001 Å
b	15.1214 ± 0.0014 Å
c	11.4424 ± 0.0011 Å
α	90°
β	110.275 ± 0.001°
γ	90°
Cell volume	1738.2 ± 0.3 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0491
Residual factor for significantly intense reflections	0.0365
Weighted residual factors for significantly intense reflections	0.0749
Weighted residual factors for all reflections included in the refinement	0.0799
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
228937 (current)	2019-11-17	cif/ Updating files of 7229927, 7229928, 7229929, 7229930, 7229931 Original log message: Adding full bibliography for 7229927--7229931.cif.	7229930.cif
205011	2018-01-10	cif/ Adding structures of 7229927, 7229928, 7229929, 7229930, 7229931 via cif-deposit CGI script.	7229930.cif