Crystallography Open Database

Information card for entry 4072344

Preview

Coordinates	4072344.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H33 Br2 Cl Co N3 O P2
Calculated formula	C25 H31 Br2 Cl Co N3 O P2
SMILES	O1[Co]2(Cl)([P](C)(C)C)([P](C)(C)C)[N](=Nc3ccc(Br)cc23)c2cc(ccc12)C.Brc1ccc(N)cc1
Title of publication	N-Assisted Carbon−Hydrogen Bond Activation by Cobalt(I) Complexes
Authors of publication	Wang, Aichen; Sun, Hongjian; Li, Xiaoyan
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	21
Pages of publication	5434
a	8.834 ± 0.0009 Å
b	9.4939 ± 0.001 Å
c	18.3764 ± 0.0019 Å
α	84.975 ± 0.002°
β	78.725 ± 0.002°
γ	88.533 ± 0.002°
Cell volume	1505.6 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1125
Residual factor for significantly intense reflections	0.0463
Weighted residual factors for significantly intense reflections	0.1103
Weighted residual factors for all reflections included in the refinement	0.1507
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178612 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/23.	4072344.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4072344.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4072344.cif
44359	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4072344 via cif-deposit CGI script.	4072344.cif