Crystallography Open Database

Information card for entry 4317772

Preview

Coordinates	4317772.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H30 Hg N4
Calculated formula	C30 H30 Hg N4
SMILES	[Hg](c1ccccc1/C=N/c1ccc(N(C)C)cc1)c1ccccc1/C=N/c1ccc(N(C)C)cc1
Title of publication	The Synthesis and Characterization of Compounds of the Type Hg{1-C6H4-2-C(H)NC6H5-nRn}2
Authors of publication	Kevin R. Flower; Victoria J. Howard; Shakil Naguthney; Robin G. Pritchard; John E. Warren; Alan T. McGown
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	1907 - 1912
a	6.2 ± 0.0001 Å
b	9.2315 ± 0.0002 Å
c	10.9069 ± 0.0003 Å
α	85.851 ± 0.001°
β	89.357 ± 0.001°
γ	87.206 ± 0.002°
Cell volume	621.86 ± 0.02 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.025
Residual factor for significantly intense reflections	0.0248
Weighted residual factors for significantly intense reflections	0.0601
Weighted residual factors for all reflections included in the refinement	0.0602
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation probe	x-ray
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
179257 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/77.	4317772.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4317772.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4317772.cif
14053	2011-03-08	../uploads/cif-deposit/cod/cif Adding structures of 4317772 via cif-deposit CGI script.	4317772.cif