Crystallography Open Database

Information card for entry 1576073

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Coordinates	1576073.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H18 B2 Co F8 N10 O4
Calculated formula	C24 H18 B2 Co F8 N10 O4
Title of publication	Wrapping a single crystal spin-crossover complex with a single crystal non-spin-crossover complex to modulate the spin-transition temperature
Authors of publication	Fukui, Tomoya; Tsuchiya, Masahiro; Mita, Naoya; Fukushima, Takanori
Journal of publication	Chemical Science
Year of publication	2025
a	16.9753 ± 0.0002 Å
b	16.4202 ± 0.0002 Å
c	10.5304 ± 0.0001 Å
α	90°
β	104.619 ± 0.001°
γ	90°
Cell volume	2840.19 ± 0.06 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0489
Residual factor for significantly intense reflections	0.0479
Weighted residual factors for significantly intense reflections	0.1315
Weighted residual factors for all reflections included in the refinement	0.1326
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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