Crystallography Open Database

Information card for entry 8106915

Preview

Coordinates	8106915.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H19 Fe N3 O2 S
Calculated formula	C24 H19 Fe N3 O2 S
SMILES	[Fe]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]5[cH]6[c]7(S(=O)(=O)n2c3ncccc3nc2/C=C/c2ccccc2)[cH]81
Title of publication	Crystal structure of (E)-2-styryl-1-ferrocenylsulfonyl-1H-imidazo[4,5-b]pyridine, C24H19FeN3O2S
Authors of publication	Wang, Lu-Yao; Guo, Xiao-Long; Li, Lu
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2016
Journal volume	231
Journal issue	2
Pages of publication	481 - 483
a	8.6762 ± 0.0009 Å
b	12.4684 ± 0.0012 Å
c	19.256 ± 0.002 Å
α	90°
β	97.496 ± 0.006°
γ	90°
Cell volume	2065.3 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0394
Residual factor for significantly intense reflections	0.0302
Weighted residual factors for significantly intense reflections	0.0749
Weighted residual factors for all reflections included in the refinement	0.0794
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
281807 (current)	2023-03-10	cif/ Adding structures of 8106915 via cif-deposit CGI script.	8106915.cif