Crystallography Open Database

Information card for entry 4507260

Preview

Coordinates	4507260.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H31 Ag3 N6 O
Calculated formula	C31 H31 Ag3 N6 O
SMILES	[Ag]1n2c(C)cc(c3ccccc3)[n]2[Ag]n2c(C)cc(c3ccccc3)[n]2[Ag]n2c(C)cc(c3ccccc3)[n]12.CO
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	7.617 ± 0.006 Å
b	14.224 ± 0.011 Å
c	15.311 ± 0.012 Å
α	108.204 ± 0.009°
β	102.225 ± 0.01°
γ	90.82 ± 0.01°
Cell volume	1534 ± 2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0663
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.1178
Weighted residual factors for all reflections included in the refinement	0.1337
Goodness-of-fit parameter for all reflections included in the refinement	0.977
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
179608 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/72.	4507260.cif
107967	2014-03-25	cif/4 Changing the entity to the proper non-English character for many entries in subdir 4	4507260.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4507260.cif
73869	2013-02-21	cif/ Adding structures of 4507260 via cif-deposit CGI script.	4507260.cif