Crystallography Open Database

Information card for entry 7205966

7205965 << 7205966 >> 7205967

Preview

Coordinates	7205966.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H14 Ag B Br F4 N3 O3.5
Calculated formula	C15 H14 Ag B Br F4 N3 O3.5
Title of publication	Diverse Ag(i) complexes constructed from methyl-4-(5-halopyrimidin-2-ylcarbamoyl)benzoate ligands: roles of the halogen atom and anion
Authors of publication	Wu, Chia-Jun; Sie, Ming-Jhe; Hsiao, Hui-Lin; Chen, Jhy-Der
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	12
Pages of publication	4121
a	13.106 ± 0.003 Å
b	10.729 ± 0.0018 Å
c	13.434 ± 0.002 Å
α	90°
β	106.41 ± 0.02°
γ	90°
Cell volume	1812.1 ± 0.6 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	8
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	0.1247
Residual factor for significantly intense reflections	0.0549
Weighted residual factors for significantly intense reflections	0.0876
Weighted residual factors for all reflections included in the refinement	0.1082
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7205966.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7205966.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7205966.cif
21299	2011-06-22	../uploads/cif-deposit/cod/cif Adding structures of 7205962, 7205963, 7205964, 7205965, 7205966, 7205967, 7205968, 7205969 via cif-deposit CGI script.	7205966.cif