Crystallography Open Database

Information card for entry 4333313

Preview

Coordinates	4333313.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H36 N6 O14 Pb2 S2
Calculated formula	C44 H36 N6 O14 Pb2 S2
SMILES	C(=O)(c1c(ccc(c1)S(=O)(=O)[O-])O)O[Pb]1([n]2ccccc2c2[n]1cccc2)([OH2])[n]1ccc(cc1)c1cc[n](cc1)[Pb]1(OC(=O)c2c(ccc(c2)S(=O)(=O)[O-])O)([n]2ccccc2c2[n]1cccc2)[OH2]
Title of publication	Syntheses, structures, and characterizations of four new lead(II) 5-sulfosalicylate complexes with both chelating and bridging neutral ligands.
Authors of publication	Fan, Sai-Rong; Zhu, Long-Guan
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	16
Pages of publication	6785 - 6793
a	14.1956 ± 0.0008 Å
b	10.9841 ± 0.0007 Å
c	15.5903 ± 0.0009 Å
α	90°
β	116.482 ± 0.002°
γ	90°
Cell volume	2175.9 ± 0.2 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	6
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	0.0281
Residual factor for significantly intense reflections	0.0237
Weighted residual factors for significantly intense reflections	0.0615
Weighted residual factors for all reflections included in the refinement	0.0642
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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
179436 (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 4/33/33.	4333313.cif
116741	2014-06-13	cif/ Updating files of 4333312, 4333313, 4333314, 4333315 Original log message: Adding full bibliography for 4333312--4333315.cif.	4333313.cif
98924	2014-01-30	cif/ Adding structures of 4333313 via cif-deposit CGI script.	4333313.cif