Crystallography Open Database

Information card for entry 7123447

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Coordinates	7123447.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H58 F6 Fe N18 O6 S2
Calculated formula	C38 H58 F6 Fe N18 O6 S2
Title of publication	“Normal” and “reverse” spin crossover induced by two different structural events in iron(II) coordination polymer
Authors of publication	Weselski, Marek Damian; Książek, Maria; Mess, Pamela; Kusz, Joachim; Bronisz, Robert
Journal of publication	Chemical Communications
Year of publication	2019
a	11.9565 ± 0.0005 Å
b	12.0756 ± 0.0008 Å
c	11.9872 ± 0.0008 Å
α	69.006 ± 0.007°
β	62.644 ± 0.006°
γ	60.642 ± 0.006°
Cell volume	1319.85 ± 0.17 Å³
Cell temperature	195 ± 1 K
Ambient diffraction temperature	195 ± 1 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0595
Residual factor for significantly intense reflections	0.0434
Weighted residual factors for significantly intense reflections	0.111
Weighted residual factors for all reflections included in the refinement	0.1224
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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