Crystallography Open Database

Information card for entry 4334567

Preview

Coordinates	4334567.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H76 Co3 N4 O18
Calculated formula	C46 H76 Co3 N4 O18
SMILES	c1cccc2CC[N]3(C)Cc4ccccc4[O]4[Co]53([n]12)([O]=C(O[Co]124([O]5C(=O)C)[O]3c4c(C[N]5(CCc6cccc[n]6[Co]35([O]=C(O1)C)([O]2C(=O)C)OC)C)cccc4)C)OC.CO.OC.OC.CO.CO.OC
Title of publication	Phenolate- and Acetate (Both μ2-1,1 and μ2-1,3 Modes)-Bridged Linear CoII3 and CoII2MnII Trimers: Magnetostructural Studies
Authors of publication	Anuj Kumar Sharma; Francesc Lloret; Rabindranath Mukherjee
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	4825 - 4833
a	9.453 ± 0.005 Å
b	11.049 ± 0.005 Å
c	13.381 ± 0.005 Å
α	80.237 ± 0.005°
β	82.414 ± 0.005°
γ	86.047 ± 0.005°
Cell volume	1363.7 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.056
Residual factor for significantly intense reflections	0.0464
Weighted residual factors for significantly intense reflections	0.1262
Weighted residual factors for all reflections included in the refinement	0.1321
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179448 (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 4/33/45.	4334567.cif
100435	2014-02-06	cif/ Adding structures of 4334567 via cif-deposit CGI script.	4334567.cif