Crystallography Open Database

Information card for entry 7704987

Preview

Coordinates	7704987.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H11 Br2 Hg N O2
Calculated formula	C16 H11 Br2 Hg N O2
Title of publication	Coordination chemistry of mercury(ii) halide complexes: a combined experimental, theoretical and (ICSD & CSD) database study on the relationship between inorganic and organic units.
Authors of publication	Samie, Ali; Salimi, Alireza; Garrison, Jered C.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	34
Pages of publication	11859 - 11877
a	17.8352 ± 0.0006 Å
b	3.9583 ± 0.0002 Å
c	22.5679 ± 0.0008 Å
α	90°
β	96.403 ± 0.003°
γ	90°
Cell volume	1583.29 ± 0.11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0806
Residual factor for significantly intense reflections	0.0767
Weighted residual factors for significantly intense reflections	0.1907
Weighted residual factors for all reflections included in the refinement	0.1966
Goodness-of-fit parameter for all reflections included in the refinement	1.092
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
256116 (current)	2020-09-06	cif/ Updating files of 7704983, 7704984, 7704985, 7704986, 7704987, 7704988, 7704989, 7704990, 7704991, 7704992, 7704993 Original log message: Adding full bibliography for 7704983--7704993.cif.	7704987.cif
254738	2020-08-02	cif/ Adding structures of 7704983, 7704984, 7704985, 7704986, 7704987, 7704988, 7704989, 7704990, 7704991, 7704992, 7704993 via cif-deposit CGI script.	7704987.cif