Crystallography Open Database

Information card for entry 7127971

Preview

Coordinates	7127971.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H124 Co2 N4 P4 Si2
Calculated formula	C84 H124 Co2 N4 P4 Si2
Title of publication	Metal-ligand cooperative transformation of alkyl azide to isocyanate occurring at a Co-Si moiety.
Authors of publication	So, Jongho; Kim, Seji; Cho, Kyung-Bin; Lee, Yunho
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	26
Pages of publication	3219 - 3222
a	10.971 ± 0.002 Å
b	12.496 ± 0.002 Å
c	14.51 ± 0.003 Å
α	81.037 ± 0.009°
β	86.84 ± 0.009°
γ	85.14 ± 0.009°
Cell volume	1956.1 ± 0.6 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 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	0.0531
Residual factor for significantly intense reflections	0.04
Weighted residual factors for significantly intense reflections	0.117
Weighted residual factors for all reflections included in the refinement	0.1335
Goodness-of-fit parameter for all reflections included in the refinement	0.745
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
263630 (current)	2021-04-05	cif/ Updating files of 7127967, 7127968, 7127969, 7127970, 7127971, 7127972, 7127973 Original log message: Adding full bibliography for 7127967--7127973.cif.	7127971.cif
262098	2021-02-20	cif/ Adding structures of 7127967, 7127968, 7127969, 7127970, 7127971, 7127972, 7127973 via cif-deposit CGI script.	7127971.cif