Crystallography Open Database

Information card for entry 4331464

Preview

Coordinates	4331464.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H36 Ag F3 N12 O6 S
Calculated formula	C34 H36 Ag F3 N12 O6 S
Title of publication	Synthesis of a tritopic, third-generation bis(1-pyrazolyl)methane ligand and its silver(I) complex: Unexpected structure with high coordination numbers
Authors of publication	Daniel L. Reger; Elizabeth A. Foley; Mark D. Smith
Journal of publication	Inorganic Chemistry Communications
Year of publication	2010
Journal volume	13
Journal issue	4
Pages of publication	568 - 572
a	12.8898 ± 0.0008 Å
b	13.2775 ± 0.0008 Å
c	22.3559 ± 0.0014 Å
α	90°
β	91.011 ± 0.001°
γ	90°
Cell volume	3825.5 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0349
Residual factor for significantly intense reflections	0.0307
Weighted residual factors for significantly intense reflections	0.0749
Weighted residual factors for all reflections included in the refinement	0.0769
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179417 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/14.	4331464.cif
91702	2013-12-13	cif/ Adding structures of 4331464 via cif-deposit CGI script.	4331464.cif