Crystallography Open Database

Information card for entry 4082376

Preview

Coordinates	4082376.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H27 Cl Co N3 O7
Calculated formula	C24 H27 Cl Co N3 O7
SMILES	[Co]123([N](=Cc4c(O2)ccc(c4)C)CC[N]1=Cc1cc(ccc1OC3)C)([OH2])[n]1ccccc1.Cl(=O)(=O)(=O)[O-]
Title of publication	A Novel Series of CoIII(salen-type) Complexes Containing a Seven-Membered Metallacycle: Synthesis, Structural Characterization and Factors Affecting the Metallacyclization Rate
Authors of publication	Siega, Patrizia; Dreos, Renata; Brancatelli, Giovanna; Zangrando, Ennio; Tavagnacco, Claudio; Vrdoljak, Višnja; Hrenar, Tomica
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	4
Pages of publication	909
a	23.85 ± 0.0018 Å
b	16.201 ± 0.0011 Å
c	12.761 ± 0.009 Å
α	90°
β	90°
γ	90°
Cell volume	4931 ± 4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0558
Residual factor for significantly intense reflections	0.0557
Weighted residual factors for significantly intense reflections	0.1391
Weighted residual factors for all reflections included in the refinement	0.1394
Goodness-of-fit parameter for all reflections included in the refinement	1.2
Diffraction radiation wavelength	1 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178712 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/23.	4082376.cif
104388	2014-03-11	cif/ Adding structures of 4082375, 4082376, 4082377 via cif-deposit CGI script.	4082376.cif