Crystallography Open Database

Information card for entry 4134788

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Coordinates	4134788.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C90 H130 Co2 N13 Na O4
Calculated formula	C90 H130 Co2 N13 Na O4
Title of publication	Isolation of a Bimetallic Cobalt(III) Nitride and Examination of Its Hydrogen Atom Abstraction Chemistry and Reactivity Towards H2.
Authors of publication	Sengupta, Debabrata; Sandoval-Pauker, Christian; Schueller, Emily C.; Encerrado-Manriquez, Angela M; Metta-Magana, Alejandro J; Lee, Wen-Yee; Seshadri, Ram; Pintér, Balázs; Fortier, Skye
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
a	12.4567 ± 0.0009 Å
b	12.6505 ± 0.001 Å
c	16.5318 ± 0.0012 Å
α	70.454 ± 0.004°
β	72.443 ± 0.003°
γ	70.308 ± 0.004°
Cell volume	2258.4 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.01 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	0.082
Residual factor for significantly intense reflections	0.0635
Weighted residual factors for significantly intense reflections	0.1469
Weighted residual factors for all reflections included in the refinement	0.1585
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation probe	x-ray
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
251094 (current)	2020-04-23	cif/ Adding structures of 4134788 via cif-deposit CGI script.	4134788.cif