Crystallography Open Database

Information card for entry 4065036

Preview

Coordinates	4065036.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H68 B Co N8
Calculated formula	C52 H68 B Co N8
Title of publication	Square-Planar Cobalt Complexes with Monodentate N-Heterocyclic Carbene Ligation: Synthesis, Structure, and Catalytic Application
Authors of publication	Mo, Zhenbo; Li, Yuxue; Lee, Hung Kay; Deng, Liang
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	17
Pages of publication	4687
a	11.5569 ± 0.0003 Å
b	18.8089 ± 0.0005 Å
c	23.9386 ± 0.0006 Å
α	103.176 ± 0.001°
β	97.061 ± 0.001°
γ	92.145 ± 0.001°
Cell volume	5016.6 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1365
Residual factor for significantly intense reflections	0.0556
Weighted residual factors for significantly intense reflections	0.1078
Weighted residual factors for all reflections included in the refinement	0.1434
Goodness-of-fit parameter for all reflections included in the refinement	0.998
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
178503 (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 4/06/50.	4065036.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4065036.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4065036.cif
33139	2012-02-11	../uploads/cif-deposit/cod/cif Adding structures of 4065034, 4065035, 4065036, 4065037 via cif-deposit CGI script.	4065036.cif