Crystallography Open Database

Information card for entry 1552212

Preview

Coordinates	1552212.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H116 Al2 D2 N4 P2 Pd2
Calculated formula	C78 H116 Al2 D2 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	12.6182 ± 0.0005 Å
b	13.8635 ± 0.0005 Å
c	22.8654 ± 0.001 Å
α	95.322 ± 0.003°
β	95.111 ± 0.003°
γ	112.036 ± 0.004°
Cell volume	3658.3 ± 0.3 Å³
Cell temperature	173 ± 0.1 K
Ambient diffraction temperature	173 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2298
Residual factor for significantly intense reflections	0.1143
Weighted residual factors for all reflections	0.4986
Weighted residual factors for significantly intense reflections	0.1663
Weighted residual factors for all reflections included in the refinement	0.1218
Goodness-of-fit parameter for all reflections included in the refinement	1.2306
Diffraction radiation probe	neutron
Diffraction radiation type	neutron
Has coordinates	Yes
Has disorder	No
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.	1552212.cif