Crystallography Open Database

Information card for entry 7064134

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Coordinates	7064134.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H25 Fe N S
Calculated formula	C34 H25 Fe N S
Title of publication	Ferrocenyl-Functionalized Phenothiazine Conjugates: Structure-Property Relationship and Electrochemical Energy Storage Studies
Authors of publication	Misra, Rajneesh; Gupta, Deeksha; Tewari, Nikhil; Kandpal, Vivak; Singh, Prabal Pratap
Journal of publication	New Journal of Chemistry
Year of publication	2025
a	9.6627 ± 0.0001 Å
b	9.7006 ± 0.0001 Å
c	14.0506 ± 0.0002 Å
α	80.794 ± 0.001°
β	77.605 ± 0.001°
γ	85.91 ± 0.001°
Cell volume	1268.82 ± 0.03 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0596
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.1174
Weighted residual factors for all reflections included in the refinement	0.1267
Goodness-of-fit parameter for all reflections included in the refinement	1.081
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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