Crystallography Open Database

Information card for entry 1552214

Preview

Coordinates	1552214.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C90 H130 Al2 N4 P2 Pd2
Calculated formula	C90 H130 Al2 N4 P2 Pd2
Title of publication	The Partial Dehydrogenation of Aluminium Dihydrides
Authors of publication	Hooper, Thomas; Lau, Samantha; Chen, Wenyi; Brown, Ryan; Garçon, Martí; Luong, Karen; Barrow, Nathan; Tatton, Andrew; Sackman, George A.; Richardson, Christopher; White, Andrew J. P.; Cooper, Richard Ian; Edwards, Alison; Casely, Ian; Crimmin, Mark Richard
Journal of publication	Chemical Science
Year of publication	2019
a	12.566 ± 0.0004 Å
b	13.8938 ± 0.0006 Å
c	14.1192 ± 0.0007 Å
α	114.468 ± 0.005°
β	101.107 ± 0.003°
γ	101.892 ± 0.003°
Cell volume	2085.85 ± 0.19 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0281
Residual factor for significantly intense reflections	0.0235
Weighted residual factors for significantly intense reflections	0.0559
Weighted residual factors for all reflections included in the refinement	0.0585
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
217515 (current)	2019-08-14	cif/ Adding structures of 1552210, 1552211, 1552212, 1552213, 1552214 via cif-deposit CGI script.	1552214.cif