Crystallography Open Database

Information card for entry 4339480

Preview

Coordinates	4339480.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H53 Co N5 O3
Calculated formula	C38 H53 Co N5 O3
SMILES	c12ccccc1[N]13c4c(cccc4)N(C(=O)C(C)C)[Co]3(N2C(=O)C(C)C)N(c2ccccc12)C(=O)C(C)C.C(C)[N+](CC)(CC)CC
Title of publication	Tripodal phenylamine-based ligands and their CoII complexes.
Authors of publication	Jones, Matthew B.; MacBeth, Cora E.
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	20
Pages of publication	8117 - 8119
a	14.609 ± 0.011 Å
b	15.421 ± 0.012 Å
c	15.668 ± 0.012 Å
α	90°
β	90°
γ	90°
Cell volume	3530 ± 5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1065
Residual factor for significantly intense reflections	0.0673
Weighted residual factors for significantly intense reflections	0.1007
Weighted residual factors for all reflections included in the refinement	0.1137
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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
179497 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/94.	4339480.cif
117346	2014-06-14	cif/ Adding structures of 4339480 via cif-deposit CGI script.	4339480.cif