Crystallography Open Database

Information card for entry 7234324

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Coordinates	7234324.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H38 Cu2 F24 N8 O12
Calculated formula	C42 H38 Cu2 F24 N8 O12
Title of publication	A heterospin pressure sensor
Authors of publication	Kseniya Yu. Maryunina; Xiao Zhang; Sadafumi Nishihara; Katsuya Inoue; Vitaly A. Morozov; Galina V. Romanenko; Victor I. Ovcharenko
Journal of publication	Journal of Materials Chemistry C
Year of publication	2015
Journal volume	3
Pages of publication	7788 - 7791
a	11.9822 ± 0.0013 Å
b	15.0665 ± 0.0018 Å
c	15.8827 ± 0.0018 Å
α	81.337 ± 0.007°
β	76.852 ± 0.006°
γ	85.591 ± 0.006°
Cell volume	2757.6 ± 0.5 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1164
Residual factor for significantly intense reflections	0.0918
Weighted residual factors for significantly intense reflections	0.2413
Weighted residual factors for all reflections included in the refinement	0.2694
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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