Crystallography Open Database

Information card for entry 1559150

Preview

Coordinates	1559150.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H10 Fe N10 Pd
Calculated formula	C12 H10 Fe N10 Pd
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	14.2723 ± 0.001 Å
b	7.3843 ± 0.0005 Å
c	15.9189 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	1677.7 ± 0.2 Å³
Cell temperature	260 ± 0.1 K
Ambient diffraction temperature	260 ± 0.1 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	0.13
Residual factor for significantly intense reflections	0.0902
Weighted residual factors for significantly intense reflections	0.2291
Weighted residual factors for all reflections included in the refinement	0.2483
Goodness-of-fit parameter for all reflections included in the refinement	1.176
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

Version history

Revision	Date	Message	Files
256637 (current)	2020-09-23	cif/ Adding structures of 1559150, 1559151, 1559152, 1559153, 1559154, 1559155, 1559156, 1559157, 1559158, 1559159, 1559160, 1559161, 1559162, 1559163, 1559164, 1559165 via cif-deposit CGI script.	1559150.cif