Crystallography Open Database

Information card for entry 7038299

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Coordinates	7038299.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H22 Fe N S
Calculated formula	C21 H22 Fe N S
Title of publication	C2-Symmetric ferrocenyl bisthiazoles: synthesis, photophysical, electrochemical and DFT studies.
Authors of publication	Maragani, Ramesh; Gautam, Prabhat; Mobin, Shaikh M.; Misra, Rajneesh
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	11
Pages of publication	4802 - 4809
a	7.3744 ± 0.0005 Å
b	11.4485 ± 0.0008 Å
c	11.5972 ± 0.0007 Å
α	71.88 ± 0.006°
β	85.21 ± 0.005°
γ	87.105 ± 0.006°
Cell volume	926.99 ± 0.11 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0542
Residual factor for significantly intense reflections	0.0454
Weighted residual factors for significantly intense reflections	0.1223
Weighted residual factors for all reflections included in the refinement	0.1332
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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