Crystallography Open Database

Information card for entry 1559162

Preview

Coordinates	1559162.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12.8 H10 Fe N10 O0.4 Pt
Calculated formula	C12.8 H10 Fe N10 O0.4 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	14.9798 ± 0.0016 Å
b	7.3662 ± 0.0006 Å
c	16.181 ± 0.002 Å
α	90°
β	91.922 ± 0.009°
γ	90°
Cell volume	1784.5 ± 0.3 Å³
Cell temperature	260 ± 0.1 K
Ambient diffraction temperature	260 ± 0.1 K
Number of distinct elements	6
Space group number	12
Hermann-Mauguin space group symbol	I 1 2/m 1
Hall space group symbol	-I 2y
Residual factor for all reflections	0.0793
Residual factor for significantly intense reflections	0.0693
Weighted residual factors for significantly intense reflections	0.1773
Weighted residual factors for all reflections included in the refinement	0.187
Goodness-of-fit parameter for all reflections included in the refinement	1.092
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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