Crystallography Open Database

Information card for entry 7704988

Preview

Coordinates	7704988.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H20 Br2 Hg N4 O4
Calculated formula	C30 H20 Br2 Hg N4 O4
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	7.721 ± 0.0003 Å
b	12.9046 ± 0.0004 Å
c	14.8624 ± 0.0005 Å
α	106.723 ± 0.003°
β	91.422 ± 0.003°
γ	97.034 ± 0.003°
Cell volume	1404.72 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0422
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.0987
Weighted residual factors for all reflections included in the refinement	0.1026
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	7704988.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.	7704988.cif