Crystallography Open Database

Information card for entry 7035501

Preview

Coordinates	7035501.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H20 Au Cl N2 O7 S4
Calculated formula	C12 H20 Au Cl N2 O7 S4
Title of publication	Noncovalent interactions determine the conformation of aurophilic complexes with 2-mercapto-4-methyl-5-thiazoleacetic acid ligands.
Authors of publication	Hapka, Michał; Dranka, Maciej; Orłowska, Katarzyna; Chałasiński, Grzegorz; Szczęśniak, Małgorzata M; Zachara, Janusz
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	30
Pages of publication	13641 - 13650
a	6.4839 ± 0.0005 Å
b	10.6956 ± 0.0008 Å
c	16.2649 ± 0.0009 Å
α	79.106 ± 0.006°
β	87.562 ± 0.005°
γ	75.111 ± 0.006°
Cell volume	1070.42 ± 0.13 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 0.2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0356
Residual factor for significantly intense reflections	0.0308
Weighted residual factors for significantly intense reflections	0.071
Weighted residual factors for all reflections included in the refinement	0.074
Goodness-of-fit parameter for all reflections included in the refinement	1.129
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
153139 (current)	2015-08-08	cif/ Updating files of 7035501, 7035502, 7035503, 7035504 Original log message: Adding full bibliography for 7035501--7035504.cif.	7035501.cif
139498	2015-06-23	cif/ Adding structures of 7035501, 7035502, 7035503, 7035504 via cif-deposit CGI script.	7035501.cif