Crystallography Open Database

Information card for entry 7018499

Preview

Coordinates	7018499.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H45 Co I2 N9 O2
Calculated formula	C34 H45 Co I2 N9 O2
SMILES	[I-].[I-].[Co]12345([O]=C(Nc6[n]4c(C[N]2(Cc2[n]3cccc2)Cc2[n]5c(NC(=[O]1)C(C)(C)C)ccc2)ccc6)C(C)(C)C)[N]#CC.N#CC.N#CC
Title of publication	Synthesis and characterization of cobalt(ii) complexes with tripodal polypyridine ligand bearing pivalamide groups. Selective formation of six- and seven-coordinate cobalt(ii) complexes.
Authors of publication	Matsumoto, Jun; Suzuki, Tatsuya; Kajita, Yuji; Masuda, Hideki
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	14
Pages of publication	4107 - 4117
a	14.3245 ± 0.0016 Å
b	14.4477 ± 0.0015 Å
c	19.422 ± 0.003 Å
α	90°
β	105.062 ± 0.0011°
γ	90°
Cell volume	3881.4 ± 0.8 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.035
Weighted residual factors for all reflections included in the refinement	0.0906
Goodness-of-fit parameter for all reflections included in the refinement	1.079
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179888 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/84.	7018499.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7018499.cif
52119	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 7018497, 7018498, 7018499, 7018500, 7018501, 7018502, 7018503, 7018504 via cif-deposit CGI script.	7018499.cif