Crystallography Open Database

Information card for entry 4131282

Preview

Coordinates	4131282.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H94.9 Co In Li N4 O4 P3
Calculated formula	C58 H94.9 Co In Li N4 O4 P3
SMILES	[Co]123([H][H]3)[P](C(C)C)(C(C)C)CN3[In]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.CCCCCC
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	11.409 ± 0.002 Å
b	12.13 ± 0.002 Å
c	23.099 ± 0.004 Å
α	98.56 ± 0.008°
β	90.383 ± 0.01°
γ	103.728 ± 0.01°
Cell volume	3067.8 ± 0.9 Å³
Cell temperature	127 ± 2 K
Ambient diffraction temperature	127 ± 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	0.0786
Residual factor for significantly intense reflections	0.0496
Weighted residual factors for significantly intense reflections	0.1052
Weighted residual factors for all reflections included in the refinement	0.1215
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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.	4131282.cif