Crystallography Open Database

Information card for entry 1552210

Preview

Coordinates	1552210.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H78 Al N4 P Ru
Calculated formula	C47 H78 Al N4 P Ru
SMILES	[RuH2]1([H][Al]2([H]1)N(C(=CC(=[N]2c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)[N]#N
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	10.7298 ± 0.0005 Å
b	11.865 ± 0.0005 Å
c	19.6541 ± 0.0007 Å
α	83.163 ± 0.003°
β	86.568 ± 0.003°
γ	70.525 ± 0.004°
Cell volume	2341.67 ± 0.18 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	0.0551
Residual factor for significantly intense reflections	0.0445
Weighted residual factors for significantly intense reflections	0.105
Weighted residual factors for all reflections included in the refinement	0.1116
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
217515 (current)	2019-08-14	cif/ Adding structures of 1552210, 1552211, 1552212, 1552213, 1552214 via cif-deposit CGI script.	1552210.cif