Crystallography Open Database

Information card for entry 1520001

1520000 << 1520001 >> 1520002

Preview

Coordinates	1520001.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H46 Co N2 P3
Calculated formula	C54 H46 Co N2 P3
SMILES	[CoH]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[N]#N
Title of publication	Alkene isomerization-hydroboration promoted by phosphine-ligated cobalt catalysts.
Authors of publication	Scheuermann, Margaret L.; Johnson, Elizabeth J.; Chirik, Paul J.
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	11
Pages of publication	2716 - 2719
a	14.376 ± 0.0006 Å
b	14.699 ± 0.0006 Å
c	21.34 ± 0.0008 Å
α	90°
β	107.79 ± 0.001°
γ	90°
Cell volume	4293.8 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0269
Residual factor for significantly intense reflections	0.0266
Weighted residual factors for significantly intense reflections	0.0696
Weighted residual factors for all reflections included in the refinement	0.0698
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
140282 (current)	2015-07-05	cif/ Updating files of 1520001 Original log message: Adding full bibliography for 1520001.cif.	1520001.cif
137394	2015-05-27	cif/ Adding structures of 1520001 via cif-deposit CGI script.	1520001.cif