Crystallography Open Database

Information card for entry 7214885

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Structure parameters

Formula	C18 H15 F6 N4 O P S
Calculated formula	C18 H15 F6 N4 O P S
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	6.919 ± 0.003 Å
b	21.908 ± 0.01 Å
c	14.415 ± 0.005 Å
α	90°
β	112.974 ± 0.017°
γ	90°
Cell volume	2011.7 ± 1.5 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1414
Residual factor for significantly intense reflections	0.0752
Weighted residual factors for significantly intense reflections	0.1866
Weighted residual factors for all reflections included in the refinement	0.2124
Goodness-of-fit parameter for all reflections included in the refinement	0.848
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
301864 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure.	7214885.cif
180479	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.	7214885.cif
110988	2014-04-20	cif/ Adding structures of 7214885, 7214886, 7214887, 7214888, 7214889, 7214890, 7214891, 7214892, 7214893, 7214894 via cif-deposit CGI script.	7214885.cif