Crystallography Open Database

Information card for entry 7042718

Preview

Coordinates	7042718.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Mn(FHF)(CO)3(CNArDipp2)
Formula	C67 H79.57 F2 Mn N2 O3.47
Calculated formula	C67 H79.568 F2 Mn N2 O3.466
Title of publication	Comparison of Nucleophilic- and Radical-Based Routes to the Formation of Manganese-Main Group Element Single Bonds
Authors of publication	Figueroa, Joshua S.; Agnew, Douglas W.; Moore, Curtis E.; Rheingold, Arnold L.
Journal of publication	Dalton Trans.
Year of publication	2017
a	19.1678 ± 0.0005 Å
b	16.5149 ± 0.0004 Å
c	20.6165 ± 0.0005 Å
α	90°
β	114.102 ± 0.001°
γ	90°
Cell volume	5957.3 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0529
Residual factor for significantly intense reflections	0.0462
Weighted residual factors for significantly intense reflections	0.1251
Weighted residual factors for all reflections included in the refinement	0.1307
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Diffraction radiation X-ray symbol	K-L~3~
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
195532 (current)	2017-04-19	cif/ Adding structures of 7042715, 7042716, 7042717, 7042718 via cif-deposit CGI script.	7042718.cif