Crystallography Open Database

Information card for entry 4131281

Preview

Coordinates	4131281.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C110 H180 Co2 Ga2 Li2 N8 O8 P6
Calculated formula	C110 H180 Co2 Ga2 Li2 N8 O8 P6
SMILES	[Co]123([H][H]3)[P](C(C)C)(C(C)C)CN3[Ga]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]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
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	15.7589 ± 0.0011 Å
b	16.9042 ± 0.0014 Å
c	21.5439 ± 0.0017 Å
α	83.33 ± 0.003°
β	85.737 ± 0.002°
γ	87.113 ± 0.003°
Cell volume	5679.5 ± 0.8 Å³
Cell temperature	125 ± 2 K
Ambient diffraction temperature	125 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1186
Residual factor for significantly intense reflections	0.0529
Weighted residual factors for significantly intense reflections	0.1101
Weighted residual factors for all reflections included in the refinement	0.1427
Goodness-of-fit parameter for all reflections included in the refinement	1.111
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
241514 (current)	2019-11-25	cif/ Adding structures of 4131280, 4131281, 4131282 via cif-deposit CGI script.	4131281.cif