Crystallography Open Database

Information card for entry 4308863

Preview

Coordinates	4308863.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H72 Hg N6 O4 S4
Calculated formula	C48 H72 Hg N6 O4 S4
Title of publication	Relation between Intramolecular NH...S Hydrogen Bonds and Coordination Number in Mercury(II) Complexes with Carbamoylbenzenethiol Derivatives
Authors of publication	Masahiro Kato; Kazunori Kojima; Taka-aki Okamura; Hitoshi Yamamoto; Takeshi Yamamura; Norikazu Ueyama
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	4037 - 4044
a	12.679 ± 0.003 Å
b	12.679 ± 0.003 Å
c	33.381 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	5366 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.193
Residual factor for significantly intense reflections	0.0534
Weighted residual factors for significantly intense reflections	0.1356
Weighted residual factors for all reflections included in the refinement	0.181
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4308863.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4308863.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4308863.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4308863.cif