Crystallography Open Database

Information card for entry 7223792

Preview

Coordinates	7223792.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	catena-(bis(m2-chloro)-(phenazine)-mercury)
Formula	C12 H8 Cl2 Hg N2
Calculated formula	C12 H8 Cl2 Hg N2
SMILES	c12ccccc2nc2c([n]1[Hg](Cl)Cl)cccc2
Title of publication	Structures and trends of one-dimensional halide-bridged polymers of five-coordinate cadmium(ii) and mercury(ii) with benzopyridine and -pyrazine-type N-donor ligands
Authors of publication	Slabbert, C.; Rademeyer, M.
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	47
Pages of publication	9070
a	7.7038 ± 0.0002 Å
b	9.0194 ± 0.0002 Å
c	9.5803 ± 0.0003 Å
α	64.986 ± 0.002°
β	80.681 ± 0.002°
γ	82.477 ± 0.002°
Cell volume	593.82 ± 0.03 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 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	0.0441
Residual factor for significantly intense reflections	0.0296
Weighted residual factors for significantly intense reflections	0.0571
Weighted residual factors for all reflections included in the refinement	0.0587
Goodness-of-fit parameter for all reflections included in the refinement	0.943
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
206958 (current)	2018-03-15	Fixing many Z values and formulae detected when treating files that initially displayed Z' < 1	7223792.cif
173656	2016-01-07	cif/ Adding structures of 7223786, 7223787, 7223788, 7223789, 7223790, 7223791, 7223792, 7223793, 7223794, 7223795, 7223796, 7223797, 7223798 via cif-deposit CGI script.	7223792.cif