Crystallography Open Database

Information card for entry 4129375

Preview

Coordinates	4129375.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H60 Br Co2 N4 P3
Calculated formula	C39 H60 Br Co2 N4 P3
SMILES	Br[Co]123[Co]456N(c7c([N]6(c6ccccc6N4C[P]2(C(C)C)C(C)C)c2ccccc2N5C[P]3(C(C)C)C(C)C)cccc7)C[P]1(C(C)C)C(C)C
Title of publication	Catalytic silylation of dinitrogen with a dicobalt complex.
Authors of publication	Siedschlag, Randall B.; Bernales, Varinia; Vogiatzis, Konstantinos D.; Planas, Nora; Clouston, Laura J.; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	14
Pages of publication	4638 - 4641
a	11.2942 ± 0.0005 Å
b	23.5381 ± 0.0011 Å
c	15.3249 ± 0.0007 Å
α	90°
β	95.878 ± 0.001°
γ	90°
Cell volume	4052.6 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0471
Residual factor for significantly intense reflections	0.0312
Weighted residual factors for significantly intense reflections	0.0651
Weighted residual factors for all reflections included in the refinement	0.0704
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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
240102 (current)	2019-11-25	cif/ Adding structures of 4129375, 4129376, 4129377 via cif-deposit CGI script.	4129375.cif