Crystallography Open Database

Information card for entry 8103139

Preview

Coordinates	8103139.cif

Structure parameters

Chemical name	[(2-(2-chloro-6-fluorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline-lead(II)]- benzene-1,4-dicarboxylato], [Pb(C~19~H~10~N~4~FCl)~2~(C~8~H~4~O~4~)]
Formula	C46 H24 Cl2 F2 N8 O4 Pb
Calculated formula	C46 H24 Cl2 F2 N8 O4 Pb
Title of publication	Crystal structure of [(2-(2-chloro-6-fluorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline]-(benzene-1,4-dicarboxylato)lead(II), Pb(C19H10N4FCl)2(C8H4O4)
Authors of publication	Xiu-Yan Wang; Xiao-Yuan Ma; Hong-Bin Xu
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2011
Journal volume	226
Journal issue	1
Pages of publication	149
a	11.9754 ± 0.0017 Å
b	17.585 ± 0.003 Å
c	19.587 ± 0.003 Å
α	90°
β	106.981 ± 0.002°
γ	90°
Cell volume	3944.9 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
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	0.0485
Residual factor for significantly intense reflections	0.0393
Weighted residual factors for significantly intense reflections	0.099
Weighted residual factors for all reflections included in the refinement	0.1044
Goodness-of-fit parameter for all reflections included in the refinement	1.002
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.	8103139.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103139.cif
29107	2011-11-02	../uploads/cif-deposit/cod/cif Adding structures of 8103139 via cif-deposit CGI script.	8103139.cif