Crystallography Open Database

Information card for entry 7223798

Preview

Coordinates	7223798.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	bis(2-Iodo)-diiodo-bis(phenazine)-di-mercury
Formula	C26 H18 Hg2 I4 N2
Calculated formula	C26 H18 Hg2 I4 N2
SMILES	c12ccccc2cc2ccccc2[n]1[Hg]1([I][Hg]([I]1)(I)[n]1c2ccccc2cc2ccccc12)I
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	8.1694 ± 0.0004 Å
b	9.1306 ± 0.0004 Å
c	9.9609 ± 0.0005 Å
α	84.347 ± 0.002°
β	70.877 ± 0.002°
γ	77.262 ± 0.002°
Cell volume	684.44 ± 0.06 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0257
Residual factor for significantly intense reflections	0.0256
Weighted residual factors for significantly intense reflections	0.0677
Weighted residual factors for all reflections included in the refinement	0.0678
Goodness-of-fit parameter for all reflections included in the refinement	1.207
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
173656 (current)	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.	7223798.cif