Crystallography Open Database

Information card for entry 4131280

Preview

Coordinates	4131280.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C112 H202 Al2 Co2 Li2 N8 O12 P6
Calculated formula	C112 H202 Al2 Co2 Li2 N8 O12 P6
SMILES	[Co]123([H][H]3)[P](C(C)C)(C(C)C)CN3[Al]45N(C[P]2(C(C)C)C(C)C)c2c([N]5(c5c(N4C[P]1(C(C)C)C(C)C)cccc5)c1c3cccc1)cccc2.[Li]123([O](CC[O]1C)C)([O](CC[O]3C)C)[O](C)CC[O]2C.CCCCC
Title of publication	Stable Dihydrogen Complexes of Cobalt(-I) Suggest an Inverse trans-Influence of Lewis Acidic Group 13 Metalloligands.
Authors of publication	Vollmer, Matthew V.; Xie, Jing; Lu, Connie C.
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
Journal volume	139
Journal issue	19
Pages of publication	6570 - 6573
a	12.3678 ± 0.0018 Å
b	13.938 ± 0.002 Å
c	36.575 ± 0.006 Å
α	90°
β	93.498 ± 0.007°
γ	90°
Cell volume	6293.1 ± 1.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
Space group number	7
Hermann-Mauguin space group symbol	P 1 n 1
Hall space group symbol	P -2yac
Residual factor for all reflections	0.0817
Residual factor for significantly intense reflections	0.0624
Weighted residual factors for significantly intense reflections	0.1445
Weighted residual factors for all reflections included in the refinement	0.1543
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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
241514 (current)	2019-11-25	cif/ Adding structures of 4131280, 4131281, 4131282 via cif-deposit CGI script.	4131280.cif