Crystallography Open Database

Information card for entry 4068477

Preview

Coordinates	4068477.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H19 Cl2 Mn N4 O7
Calculated formula	C22 H19 Cl2 Mn N4 O7
Title of publication	Acyclic Diamino Carbene Complexes of Manganese(I): Synthesis, Deprotonation, and Subsequent Multiple Insertion Reaction of Alkynes
Authors of publication	Ruiz, Javier; Perandones, Bernabé F.
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	3
Pages of publication	830
a	9.7671 ± 0.0001 Å
b	12.0128 ± 0.0002 Å
c	20.266 ± 0.0003 Å
α	90°
β	95.416 ± 0.001°
γ	90°
Cell volume	2367.2 ± 0.06 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0519
Residual factor for significantly intense reflections	0.0363
Weighted residual factors for significantly intense reflections	0.0785
Weighted residual factors for all reflections included in the refinement	0.0829
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178574 (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 4/06/84.	4068477.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068477.cif
39785	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068477, 4068478, 4068479 via cif-deposit CGI script.	4068477.cif