Crystallography Open Database

Information card for entry 1559157

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Coordinates	1559157.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H10 Fe N10 Pt
Calculated formula	C12 H10 Fe N10 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	14.5857 ± 0.0006 Å
b	7.365 ± 0.0004 Å
c	15.9543 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	1713.87 ± 0.14 Å³
Cell temperature	260 ± 2 K
Ambient diffraction temperature	259.97 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0854
Residual factor for significantly intense reflections	0.052
Weighted residual factors for significantly intense reflections	0.1297
Weighted residual factors for all reflections included in the refinement	0.1557
Goodness-of-fit parameter for all reflections included in the refinement	1.19
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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