Crystallography Open Database

Information card for entry 2018501

2018500 << 2018501 >> 2018502

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Structure parameters

Chemical name	bis{μ-1,2-bis[4-(pyridin-3-yl)phenoxy]ethane- κ^2^<i>N</i>:<i>N</i>'}bis[iodidomercury(II)]
Formula	C48 H40 Hg2 I4 N4 O4
Calculated formula	C48 H40 Hg2 I4 N4 O4
SMILES	c1ccc2c[n]1[Hg](I)(I)[n]1cccc(c3ccc(OCCOc4ccc(c5ccc[n](c5)[Hg](I)(I)[n]5cccc(c6ccc(OCCOc7ccc2cc7)cc6)c5)cc4)cc3)c1
Title of publication	The structures of three Hg~2~<i>X</i>~4~<i>L</i>~2~ macrocycles {<i>X</i> = Cl, Br and I, and <i>L</i> = 1,2-bis[4-(pyridin-3-yl)phenoxy]ethane} assembled from ether-bridged dipyridyl ligands
Authors of publication	Wu, Dan; Qin, Na; Liu, Qi-Kui; Ma, Jian-Ping; Dong, Yu-Bin
Journal of publication	Acta Crystallographica Section C
Year of publication	2012
Journal volume	68
Journal issue	6
Pages of publication	m156 - m160
a	8.9444 ± 0.0016 Å
b	12.352 ± 0.002 Å
c	12.052 ± 0.002 Å
α	72.641 ± 0.002°
β	74.882 ± 0.002°
γ	77.62 ± 0.002°
Cell volume	1213.3 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0412
Residual factor for significantly intense reflections	0.0341
Weighted residual factors for significantly intense reflections	0.0826
Weighted residual factors for all reflections included in the refinement	0.0858
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
180854 (current)	2016-04-02	cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/85.	2018501.cif 2018501.hkl
176432	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	2018501.cif 2018501.hkl
125873	2014-10-25	cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes.	2018501.cif 2018501.hkl
88064	2013-08-29	Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet.	2018501.cif 2018501.hkl
66590	2012-09-11	hkl/ Adding assigned .htl files for the most recent IUCr data depositions.	2018501.cif 2018501.hkl
61657	2012-07-05	cif/ Adding structures of 2018499, 2018500, 2018501 via cif-deposit CGI script.	2018501.cif