Crystallography Open Database

Information card for entry 4064218

Preview

Coordinates	4064218.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H52 B F24 N4 O4 Re
Calculated formula	C58 H52 B F24 N4 O4 Re
Title of publication	Neutral and Cationic Mono- and Bis-N-heterocyclic Carbene Complexes Derived From Manganese and Rhenium Carbonyl Precursors
Authors of publication	Martin, Thomas A.; Ellul, Charles E.; Mahon, Mary F.; Warren, Mark E.; Allan, David; Whittlesey, Michael K.
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	8
Pages of publication	2200
a	17.507 ± 0.0002 Å
b	20.006 ± 0.0002 Å
c	35.908 ± 0.0004 Å
α	90°
β	95.892 ± 0.001°
γ	90°
Cell volume	12510.2 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0573
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.0762
Weighted residual factors for all reflections included in the refinement	0.0834
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
178536 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/42.	4064218.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4064218.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4064218.cif
32819	2012-02-10	../uploads/cif-deposit/cod/cif Adding structures of 4064215, 4064216, 4064217, 4064218, 4064219, 4064220, 4064221, 4064222, 4064223 via cif-deposit CGI script.	4064218.cif