Crystallography Open Database

Information card for entry 7060965

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Coordinates	7060965.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H27 Fe N5
Calculated formula	C39 H27 Fe N5
Title of publication	D–π–A type ferrocene-substituted azobenzene photochromic switches: synthesis, structures, and electrochemical and photoisomerization studies
Authors of publication	Yan, Jian-Feng; Men, Rui-Xi; Chen, Xiao-Xiao; Lin, Cai-Xia; Nockemann, Peter; Yuan, Yao-Feng
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	42
Pages of publication	19917 - 19927
a	10.264 ± 0.004 Å
b	12.146 ± 0.005 Å
c	14.131 ± 0.005 Å
α	109.185 ± 0.001°
β	108.09 ± 0.002°
γ	100.867 ± 0.004°
Cell volume	1496.5 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0476
Residual factor for significantly intense reflections	0.0418
Weighted residual factors for significantly intense reflections	0.11
Weighted residual factors for all reflections included in the refinement	0.1142
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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