Crystallography Open Database

Information card for entry 4337288

Preview

Coordinates	4337288.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H42 Cl6 N16 O29 Pb3
Calculated formula	C36 H42 Cl6 N16 O29 Pb3
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	22.3152 ± 0.0003 Å
b	11.64703 ± 0.00016 Å
c	25.6567 ± 0.0004 Å
α	90°
β	103.207 ± 0.0014°
γ	90°
Cell volume	6491.97 ± 0.16 Å³
Cell temperature	100.01 ± 0.13 K
Ambient diffraction temperature	100.01 ± 0.13 K
Number of distinct elements	6
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	0.0957
Residual factor for significantly intense reflections	0.0933
Weighted residual factors for significantly intense reflections	0.2315
Weighted residual factors for all reflections included in the refinement	0.233
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
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.	4337288.cif
106261	2014-03-15	cif/ Adding structures of 4337287, 4337288, 4337289, 4337290, 4337291, 4337292 via cif-deposit CGI script.	4337288.cif