Crystallography Open Database

Information card for entry 8103142

Preview

Coordinates	8103142.cif

Structure parameters

Chemical name	[(2-(4-fluorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline-lead(II)]- 5-nitro-1,3-benzenedicarboxylato], [Pb(C~19~H~11~N~4~F)~2~(C~8~H~3~NO~6~)]^.^1.5H~2~O
Formula	C92 H56 F4 N18 O15 Pb2
Calculated formula	C92 H50 F4 N18 O15 Pb2
Title of publication	Crystal structure of (2-(4-fluorophenyl)-1H-imidazo[4,5-f][1,10]-phenanthroline)-(5-nitro-1,3-benzenedicarboxylato)lead(II) sesquihydrate, Pb(C19H11N4F)2(C8H3NO6) · 1.5H2O
Authors of publication	Xiu-Yan Wang; Shuai Ma; Yu He
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2011
Journal volume	226
Journal issue	3
Pages of publication	350
a	18.2901 ± 0.001 Å
b	10.6611 ± 0.0006 Å
c	20.8722 ± 0.0011 Å
α	90°
β	100.122 ± 0.001°
γ	90°
Cell volume	4006.6 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0543
Residual factor for significantly intense reflections	0.039
Weighted residual factors for significantly intense reflections	0.0904
Weighted residual factors for all reflections included in the refinement	0.096
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
176728 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8103142.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103142.cif
29113	2011-11-02	../uploads/cif-deposit/cod/cif Adding structures of 8103142 via cif-deposit CGI script.	8103142.cif