Crystallography Open Database

Information card for entry 4507846

Preview

Coordinates	4507846.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H12 N2 O5 Pb
Calculated formula	C16 H12 N2 O5 Pb
SMILES	[Pb]1[n]2cccc3c2c2c(ccc[n]12)cc3.C(=O)(COCC(=O)[O-])[O-]
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	10.253 ± 0.002 Å
b	20.192 ± 0.004 Å
c	8.337 ± 0.002 Å
α	90°
β	117.41 ± 0.01°
γ	90°
Cell volume	1532.2 ± 0.6 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	5
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	0.0286
Residual factor for significantly intense reflections	0.0285
Weighted residual factors for significantly intense reflections	0.0722
Weighted residual factors for all reflections included in the refinement	0.0723
Goodness-of-fit parameter for all reflections included in the refinement	1.16
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.	4507846.cif
87118	2013-07-14	cif/ Adding structures of 4507846 via cif-deposit CGI script.	4507846.cif