Crystallography Open Database

Information card for entry 7206170

7206169 << 7206170 >> 7206171

Preview

Coordinates	7206170.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H21 Co N12 O3
Calculated formula	C18 H21 Co N12 O3
SMILES	[Co]123([n]4cc[nH]c4c4n1ccn4)(n1ccnc1c1[n]2cc[nH]1)[n]1cc[nH]c1c1n3ccn1.O.O.O
Title of publication	Liquid-assisted solid-state reaction: assembly of (6,3) and (10,3) hydrogen-bonded networks based on [M(Hbiim)3] by oxidation of [M(H2biim)3]2+ complexes in the presence of acetate anions
Authors of publication	Tan, Yu-Hui; Yang, Li-Fei; Cao, Man-Li; Wu, Jin-Ji; Ye, Bao-Hui
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	14
Pages of publication	4512
a	8.1 ± 0.0008 Å
b	22.692 ± 0.002 Å
c	12.049 ± 0.0013 Å
α	90°
β	96.852 ± 0.002°
γ	90°
Cell volume	2198.9 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0651
Residual factor for significantly intense reflections	0.0577
Weighted residual factors for significantly intense reflections	0.132
Weighted residual factors for all reflections included in the refinement	0.1364
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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
180392 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/61.	7206170.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7206170.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7206170.cif
23564	2011-08-09	../uploads/cif-deposit/cod/cif Adding structures of 7206169, 7206170, 7206171 via cif-deposit CGI script.	7206170.cif