Crystallography Open Database

Information card for entry 4307045

Preview

Coordinates	4307045.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6.5 H7 Cl Hg0.5 N2 O0.5
Calculated formula	C6.5 H7 Cl Hg0.5 N2 O0.5
Title of publication	Crystal-Engineering Studies of Coordination Polymers and a Molecular-Looped Complex Containing Dipyridyl-Amide Ligands
Authors of publication	Biing-Chiau Tzeng; Yung-Chi Huang; Bo-So Chen; Wan-Min Wu; Shih-Yang Lee; Gene-Hsiang Lee; Shie-Ming Peng
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	186 - 195
a	14.6089 ± 0.0014 Å
b	4.4707 ± 0.0004 Å
c	15.1422 ± 0.0014 Å
α	90°
β	106.779 ± 0.002°
γ	90°
Cell volume	946.86 ± 0.15 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.0504
Residual factor for significantly intense reflections	0.0463
Weighted residual factors for significantly intense reflections	0.1319
Weighted residual factors for all reflections included in the refinement	0.1361
Goodness-of-fit parameter for all reflections included in the refinement	1.137
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
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.	4307045.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4307045.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4307045.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4307045.cif