Crystallography Open Database

Information card for entry 7135219

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Coordinates	7135219.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H72 N5
Calculated formula	C44 H72 N5
Title of publication	Multistage control of near-infrared and magnetic properties <i>via</i> π-dimer modulation in TCNQ radical anion salts.
Authors of publication	Shu, Ruifeng; Naota, Takeshi; Shiomi, Daisuke; Suzuki, Shuichi
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2025
Journal volume	61
Journal issue	87
Pages of publication	17021 - 17024
a	11.0521 ± 0.0002 Å
b	13.746 ± 0.0003 Å
c	15.6376 ± 0.0003 Å
α	69.62 ± 0.002°
β	76.6492 ± 0.0017°
γ	89.3974 ± 0.0016°
Cell volume	2160.43 ± 0.08 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0903
Residual factor for significantly intense reflections	0.0513
Weighted residual factors for significantly intense reflections	0.1399
Weighted residual factors for all reflections included in the refinement	0.1686
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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