Crystallography Open Database

Information card for entry 1559151

Preview

Coordinates	1559151.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	14.1549 ± 0.0007 Å
b	7.1808 ± 0.0004 Å
c	15.6363 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	1589.33 ± 0.14 Å³
Cell temperature	119.9 ± 0.14 K
Ambient diffraction temperature	119.9 ± 0.14 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	0.0959
Residual factor for significantly intense reflections	0.0644
Weighted residual factors for significantly intense reflections	0.1465
Weighted residual factors for all reflections included in the refinement	0.1613
Goodness-of-fit parameter for all reflections included in the refinement	1.117
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.	1559151.cif