Crystallography Open Database

Information card for entry 7211054

Preview

Coordinates	7211054.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H12 N2 O4 Pb
Calculated formula	C20 H12 N2 O4 Pb
SMILES	[Pb]12(OC(=O)c3[n]1c1c(cc3)cccc1)OC(=O)c1[n]2c2c(cc1)cccc2
Title of publication	Solid- and solution-state structural transformations in flexible lead(ii) supramolecular polymers
Authors of publication	Akhbari, Kamran; Morsali, Ali
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	44
Pages of publication	8915
a	16.581 ± 0.006 Å
b	7.331 ± 0.003 Å
c	14.377 ± 0.006 Å
α	90°
β	109.247 ± 0.006°
γ	90°
Cell volume	1649.9 ± 1.1 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0356
Residual factor for significantly intense reflections	0.0316
Weighted residual factors for significantly intense reflections	0.1095
Weighted residual factors for all reflections included in the refinement	0.1187
Goodness-of-fit parameter for all reflections included in the refinement	1.082
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
180441 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/10.	7211054.cif
90192	2013-11-17	cif/ Adding structures of 7211053, 7211054 via cif-deposit CGI script.	7211054.cif