Crystallography Open Database

Information card for entry 4507259

Preview

Coordinates	4507259.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H54 Ag6 N12
Calculated formula	C60 H54 Ag6 N12
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	14.082 ± 0.004 Å
b	15.035 ± 0.004 Å
c	16.149 ± 0.005 Å
α	115.984 ± 0.006°
β	100.687 ± 0.005°
γ	100.292 ± 0.006°
Cell volume	2886.5 ± 1.5 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	0.133
Residual factor for significantly intense reflections	0.0529
Weighted residual factors for significantly intense reflections	0.1136
Weighted residual factors for all reflections included in the refinement	0.1529
Goodness-of-fit parameter for all reflections included in the refinement	0.908
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.	4507259.cif
107967	2014-03-25	cif/4 Changing the entity to the proper non-English character for many entries in subdir 4	4507259.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4507259.cif
73868	2013-02-21	cif/ Adding structures of 4507259 via cif-deposit CGI script.	4507259.cif