Crystallography Open Database

Information card for entry 4068478

Preview

Coordinates	4068478.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H20 Cl3 Mn N2 O7
Calculated formula	C21 H20 Cl3 Mn N2 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	12.376 ± 0.002 Å
b	11.822 ± 0.002 Å
c	16.339 ± 0.003 Å
α	90°
β	94.657 ± 0.003°
γ	90°
Cell volume	2382.7 ± 0.7 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 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	0.0878
Residual factor for significantly intense reflections	0.0516
Weighted residual factors for significantly intense reflections	0.1203
Weighted residual factors for all reflections included in the refinement	0.1322
Goodness-of-fit parameter for all reflections included in the refinement	1.088
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.	4068478.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068478.cif
39785	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068477, 4068478, 4068479 via cif-deposit CGI script.	4068478.cif