Crystallography Open Database

Information card for entry 4507258

Preview

Coordinates	4507258.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46.5 H36.5 Ag3 N6
Calculated formula	C46.5 H33 Ag3 N6
Title of publication	Substituent Effects on the Supramolecular Aggregation of AgI-Pyrazolato Trimers
Authors of publication	Yang, Guang; Baran, Peter; Martínez, Angel R.; Raptis, Raphael G.
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	1
Pages of publication	264
a	11.806 ± 0.007 Å
b	13.182 ± 0.008 Å
c	14.862 ± 0.009 Å
α	100.076 ± 0.007°
β	101.519 ± 0.007°
γ	107.103 ± 0.007°
Cell volume	2098 ± 2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0441
Residual factor for significantly intense reflections	0.0349
Weighted residual factors for significantly intense reflections	0.1093
Weighted residual factors for all reflections included in the refinement	0.1155
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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
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.	4507258.cif
107967	2014-03-25	cif/4 Changing the entity to the proper non-English character for many entries in subdir 4	4507258.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4507258.cif
73867	2013-02-21	cif/ Adding structures of 4507258 via cif-deposit CGI script.	4507258.cif