Crystallography Open Database

Information card for entry 4314855

Preview

Coordinates	4314855.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H24 Ag F3 Fe N5 O4
Calculated formula	C29 H24 Ag F3 Fe N5 O4
Title of publication	Heterobimetallic Metal-Complex Assemblies Constructed from the Flexible Arm-Like Ligand 1,1'-Bis[(3-pyridylamino)carbonyl]ferrocene: Structural Versatility in the Solid State
Authors of publication	Kai-Ju Wei; Jia Ni; Yangzhong Liu
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	1834 - 1848
a	7.935 ± 0.003 Å
b	13.767 ± 0.005 Å
c	14.06 ± 0.005 Å
α	84.828 ± 0.003°
β	75.688 ± 0.003°
γ	79.132 ± 0.004°
Cell volume	1460 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0616
Residual factor for significantly intense reflections	0.0473
Weighted residual factors for significantly intense reflections	0.116
Weighted residual factors for all reflections included in the refinement	0.1259
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
179228 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/48.	4314855.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4314855.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4314855.cif
17004	2011-03-31	cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif \| sort \| xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} \| > cif_filter --add-cif-header {} \| > sponge {} ) 2>&1 \| grep NOTE; then svn revert {}; > fi' ) &	4314855.cif
7998	2011-02-03	../uploads/cif-deposit/cod/cif Adding structures of 4314855 via cif-deposit CGI script.	4314855.cif