Crystallography Open Database

Information card for entry 7127972

Preview

Coordinates	7127972.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(MeSiP2)Co(CO)2
Formula	C27 H39 Co O2 P2 Si
Calculated formula	C27 H39 Co O2 P2 Si
SMILES	[Co]12(C#[O])([P](c3ccccc3[Si]1(c1c([P]2(C(C)C)C(C)C)cccc1)C)(C(C)C)C(C)C)C#[O]
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	11.2544 ± 0.0006 Å
b	15.4033 ± 0.0008 Å
c	15.7698 ± 0.0008 Å
α	90°
β	94.781 ± 0.001°
γ	90°
Cell volume	2724.3 ± 0.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.059
Residual factor for significantly intense reflections	0.0339
Weighted residual factors for significantly intense reflections	0.0856
Weighted residual factors for all reflections included in the refinement	0.0992
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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.	7127972.cif
262098	2021-02-20	cif/ Adding structures of 7127967, 7127968, 7127969, 7127970, 7127971, 7127972, 7127973 via cif-deposit CGI script.	7127972.cif