Crystallography Open Database

Information card for entry 4086826

Preview

Coordinates	4086826.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H84 K Mn N2 O3
Calculated formula	C68 H84 K Mn N2 O3
Title of publication	Controlled cis Labilization of CO from Manganese(I) Mixed Carbonyl/Isocyanide Complexes: An Entry Point to Coordinatively Unsaturated Metallo-Lewis Acids
Authors of publication	Agnew, Douglas W.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.
Journal of publication	Organometallics
Year of publication	2017
Journal volume	36
Journal issue	2
Pages of publication	363
a	19.142 ± 0.005 Å
b	27.61 ± 0.008 Å
c	27.492 ± 0.008 Å
α	90°
β	104.977 ± 0.004°
γ	90°
Cell volume	14036 ± 7 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.1258
Residual factor for significantly intense reflections	0.0862
Weighted residual factors for significantly intense reflections	0.1982
Weighted residual factors for all reflections included in the refinement	0.2178
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation probe	x-ray
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
191363 (current)	2017-02-04	cif/ Updating files of 4086816, 4086817, 4086818, 4086819, 4086820, 4086821, 4086822, 4086823, 4086824, 4086825, 4086826, 4086827 Original log message: Adding full bibliography for 4086816--4086827.cif.	4086826.cif
189666	2017-01-01	cif/ Adding structures of 4086816, 4086817, 4086818, 4086819, 4086820, 4086821, 4086822, 4086823, 4086824, 4086825, 4086826, 4086827 via cif-deposit CGI script.	4086826.cif