Crystallography Open Database

Information card for entry 7701470

Preview

Coordinates	7701470.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	18151b
Chemical name	[Et4N][Cr(CO)3{h6-(((3,5-CH3)C6H3)BPPh3)Cr(CO)3}]
Formula	C61 H65 B Cr2 N O6 P3
Calculated formula	C61 H65 B Cr2 N O6 P3
Title of publication	Seventeen-electron chromium(i)tricarbonyltris(phosphine) complexes supported by tris(phosphinomethyl)phenylborates
Authors of publication	Fischer, Paul J.; Senthil, Shuruthi; Stephan, Jeremy T.; Swift, McKinley L.; Young, Victor G.
Journal of publication	Dalton Transactions
Year of publication	2019
a	12.1469 ± 0.0016 Å
b	17.619 ± 0.002 Å
c	32.885 ± 0.004 Å
α	90°
β	94.643 ± 0.003°
γ	90°
Cell volume	7014.8 ± 1.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
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	0.0966
Residual factor for significantly intense reflections	0.076
Weighted residual factors for significantly intense reflections	0.1841
Weighted residual factors for all reflections included in the refinement	0.1973
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
220619 (current)	2019-11-01	cif/ Adding structures of 7701464, 7701465, 7701466, 7701467, 7701468, 7701469, 7701470 via cif-deposit CGI script.	7701470.cif