Crystallography Open Database

Information card for entry 7123446

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Coordinates	7123446.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	11.8402 ± 0.0006 Å
b	11.9712 ± 0.0007 Å
c	11.891 ± 0.0007 Å
α	69.846 ± 0.006°
β	62.779 ± 0.006°
γ	61.129 ± 0.006°
Cell volume	1295.84 ± 0.16 Å³
Cell temperature	160 ± 1 K
Ambient diffraction temperature	160 ± 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	0.0521
Residual factor for significantly intense reflections	0.0412
Weighted residual factors for significantly intense reflections	0.107
Weighted residual factors for all reflections included in the refinement	0.1156
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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