Crystallography Open Database

Information card for entry 4510370

Preview

Coordinates	4510370.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H30 O13 Pb4
Calculated formula	C42 H30 O13 Pb4
SMILES	C(=O)(c1ccccc1)O[Pb]1[O]=C(O[Pb]2([O]31[Pb]1(OC(c4ccccc4)=[O]1)[O]=C(O[Pb]3OC(=O)c1ccccc1)c1ccccc1)[O]=C(c1ccccc1)O2)c1ccccc1
Title of publication	Helical∞1[Pb2O] Chains in Polymorphs of Pb2O(C6H5COO)2
Authors of publication	Easterday, Clay C.; Dedon, Liv R.; Zeller, Matthias; Oertel, Catherine M.
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	4
Pages of publication	2048
a	13.263 ± 0.003 Å
b	22.855 ± 0.004 Å
c	13.483 ± 0.004 Å
α	90°
β	97.923 ± 0.003°
γ	90°
Cell volume	4048 ± 1.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0371
Residual factor for significantly intense reflections	0.0261
Weighted residual factors for significantly intense reflections	0.0542
Weighted residual factors for all reflections included in the refinement	0.0599
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
179650 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/03.	4510370.cif
109064	2014-04-07	cif/ Adding structures of 4510368, 4510369, 4510370 via cif-deposit CGI script.	4510370.cif