Crystallography Open Database

Information card for entry 7214893

Preview

Coordinates	7214893.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C106 H82 Cl4 Fe2 N24 O23 S6
Calculated formula	C106 H82 Cl4 Fe2 N24 O23 S6
Title of publication	Comparative structural and spectral analyses for mononuclear and dinuclear metal complexes of 2-thiophen and 2-(5-bromothiophen) imidazo[4,5-f][1,10]phenanthroline
Authors of publication	Xu, Feng; Peng, Yu-Xin; Hu, Bin; Tao, Tao; Huang, Wei
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	23
Pages of publication	8023
a	18.229 ± 0.005 Å
b	18.329 ± 0.005 Å
c	19.533 ± 0.005 Å
α	62.294 ± 0.003°
β	76.676 ± 0.004°
γ	68.31 ± 0.004°
Cell volume	5355 ± 2 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 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	0.1827
Residual factor for significantly intense reflections	0.1154
Weighted residual factors for significantly intense reflections	0.3431
Weighted residual factors for all reflections included in the refinement	0.3682
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180479 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/48.	7214893.cif
110988	2014-04-20	cif/ Adding structures of 7214885, 7214886, 7214887, 7214888, 7214889, 7214890, 7214891, 7214892, 7214893, 7214894 via cif-deposit CGI script.	7214893.cif