Crystallography Open Database

Information card for entry 4337292

Preview

Coordinates	4337292.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H77 Ag6 F6 N30 O10 S2
Calculated formula	C72 H78 Ag6 F6 N30 O10 S2
Title of publication	Metal-induced isomerization of a molecular strand containing contradictory dynamic coordination sites.
Authors of publication	Hutchinson, Daniel J.; James, Matthew P.; Hanton, Lyall R.; Moratti, Stephen C.
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	4
Pages of publication	2122 - 2132
a	34.0737 ± 0.0014 Å
b	20.2018 ± 0.0013 Å
c	33.1437 ± 0.0011 Å
α	90°
β	91.233 ± 0.003°
γ	90°
Cell volume	22809.2 ± 1.9 Å³
Cell temperature	100.01 ± 0.13 K
Ambient diffraction temperature	100.01 ± 0.13 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.1268
Residual factor for significantly intense reflections	0.0901
Weighted residual factors for significantly intense reflections	0.2576
Weighted residual factors for all reflections included in the refinement	0.2857
Goodness-of-fit parameter for all reflections included in the refinement	0.998
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179475 (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 4/33/72.	4337292.cif
106261	2014-03-15	cif/ Adding structures of 4337287, 4337288, 4337289, 4337290, 4337291, 4337292 via cif-deposit CGI script.	4337292.cif