Crystallography Open Database

Information card for entry 4317775

Preview

Structure parameters

Formula	C30 H28 Hg N2
Calculated formula	C30 H28 Hg N2
SMILES	[Hg](c1ccccc1/C=N/c1c(cccc1C)C)c1ccccc1/C=N/c1c(cccc1C)C
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	12.5307 ± 0.0002 Å
b	10.9852 ± 0.0002 Å
c	18.2112 ± 0.0002 Å
α	90°
β	104.019°
γ	90°
Cell volume	2432.15 ± 0.06 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
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	0.0313
Residual factor for significantly intense reflections	0.0272
Weighted residual factors for significantly intense reflections	0.0657
Weighted residual factors for all reflections included in the refinement	0.0681
Goodness-of-fit parameter for all reflections included in the refinement	1.082
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
201982 (current)	2017-10-13	cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	4317775.cif
179257	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.	4317775.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4317775.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4317775.cif
14056	2011-03-08	../uploads/cif-deposit/cod/cif Adding structures of 4317775 via cif-deposit CGI script.	4317775.cif