Crystallography Open Database

Information card for entry 1559164

Preview

Coordinates	1559164.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H11.6 Fe N10 O0.8 Pt
Calculated formula	C12 H11.6 Fe N10 O0.8 Pt
Title of publication	Reversible guest-induced gate-opening with multiplex spin crossover responses in two-dimensional Hofmann Clathrates
Authors of publication	Turo-Cortés, Rubén; Bartual-Murgui, Carlos; Castells-Gil, Javier; Muñoz, Carmen; Martí-Gastaldo, Carlos; Real Cabezos, José Antonio A
Journal of publication	Chemical Science
Year of publication	2020
a	21.488 ± 0.003 Å
b	7.1993 ± 0.0008 Å
c	14.6712 ± 0.0016 Å
α	90°
β	131.584 ± 0.003°
γ	90°
Cell volume	1697.6 ± 0.4 Å³
Cell temperature	187 ± 2 K
Ambient diffraction temperature	186.99 K
Number of distinct elements	6
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0935
Residual factor for significantly intense reflections	0.0737
Weighted residual factors for significantly intense reflections	0.1674
Weighted residual factors for all reflections included in the refinement	0.1783
Goodness-of-fit parameter for all reflections included in the refinement	1.142
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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