Crystallography Open Database

Information card for entry 4507847

Preview

Coordinates	4507847.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H4 O4 Pb S
Calculated formula	C4 H4 O4 Pb S
Title of publication	Binary and Ternary Metal‒Organic Hybrid Polymers in Aqueous Lead(II)‒Dicarboxylic Acid‒(Phen) Systems. The Influence of O- and S-Ligand Heteroatoms on the Assembly of Distinct Lattice Architecture, Dimensionality, and Spectroscopic Properties
Authors of publication	Gabriel, C.; Raptopoulou, C. P.; Terzis, A.; Psycharis, V.; Gul-E-Noor, F.; Bertmer, M.; Mateescu, C.; Salifoglou, A.
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	6
Pages of publication	2573
a	19.2945 ± 0.0016 Å
b	9.0591 ± 0.0005 Å
c	7.5483 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1319.37 ± 0.15 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	5
Space group number	45
Hermann-Mauguin space group symbol	I b a 2
Hall space group symbol	I 2 -2c
Residual factor for all reflections	0.0311
Residual factor for significantly intense reflections	0.0296
Weighted residual factors for significantly intense reflections	0.0667
Weighted residual factors for all reflections included in the refinement	0.0675
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
179614 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/78.	4507847.cif
87119	2013-07-14	cif/ Adding structures of 4507847 via cif-deposit CGI script.	4507847.cif