Crystallography Open Database

Information card for entry 4503125

Preview

Coordinates	4503125.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H13 F3 N2 O4 Pb
Calculated formula	C16 H13 F3 N2 O4 Pb
Title of publication	Molecular Fabric Structure Formed by the 1D Coordination Polymer, [Pb(bpe)(O2CCH3)(O2CCF3)]
Authors of publication	Peedikakkal, Abdul Malik Puthan; Vittal, Jagadese J.
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	2
Pages of publication	375
a	20.3474 ± 0.001 Å
b	39.859 ± 0.002 Å
c	9.3583 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	7589.8 ± 0.7 Å³
Cell temperature	233 ± 2 K
Ambient diffraction temperature	233 ± 2 K
Number of distinct elements	6
Space group number	68
Hermann-Mauguin space group symbol	C c c a :2
Hall space group symbol	-C 2a 2ac
Residual factor for all reflections	0.0479
Residual factor for significantly intense reflections	0.0375
Weighted residual factors for significantly intense reflections	0.1061
Weighted residual factors for all reflections included in the refinement	0.112
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4503125.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503125.cif
41367	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503125 via cif-deposit CGI script.	4503125.cif