Crystallography Open Database

Information card for entry 4317773

Preview

Coordinates	4317773.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H24 Hg N2
Calculated formula	C28 H24 Hg N2
SMILES	c1(ccccc1/C=N/c1ccc(cc1)C)[Hg]c1ccccc1/C=N/c1ccc(cc1)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	12.826 ± 0.0005 Å
b	14.0675 ± 0.0004 Å
c	6.1032 ± 0.0002 Å
α	90°
β	90.099 ± 0.001°
γ	90°
Cell volume	1101.2 ± 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	0.0425
Residual factor for significantly intense reflections	0.0285
Weighted residual factors for significantly intense reflections	0.068
Weighted residual factors for all reflections included in the refinement	0.0745
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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.	4317773.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4317773.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4317773.cif
14054	2011-03-08	../uploads/cif-deposit/cod/cif Adding structures of 4317773 via cif-deposit CGI script.	4317773.cif