Crystallography Open Database

Information card for entry 7028103

Preview

Coordinates	7028103.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H86 Co2 Er2 N4 O22
Calculated formula	C58 H86 Co2 Er2 N4 O22
SMILES	[Er]1234([O]=N(=O)O1)([O]=C(C(C)(C)C)O[Co]([n]1cccc5ccccc15)(OC(C(C)(C)C)=[O]2)OC(C(C)(C)C)=[O]3)[O]=C(C(C)(C)C)O[Er]123([O]=N(=O)O1)([O]=C(C(C)(C)C)O[Co]([n]1cccc5ccccc15)(OC(C(C)(C)C)=[O]2)OC(C(C)(C)C)=[O]3)[O]=C(C(C)(C)C)O4
Title of publication	Preparation, structure and preliminary magnetic studies of tri- and tetra-nuclear cobalt‒lanthanide carboxylate complexes
Authors of publication	Cui, Yong; Chen, Jiu-Tong; Long, De-Liang; Zheng, Fa-Kun; Cheng, Wen-Dan; Huang, Jin-Shun
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	1998
Journal issue	18
Pages of publication	2955
a	10.9792 ± 0.0002 Å
b	12.4595 ± 0.0002 Å
c	13.7959 ± 0.0002 Å
α	85.5964 ± 0.0008°
β	84.564 ± 0.0007°
γ	73.05 ± 0.007°
Cell volume	1794.72 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0668
Residual factor for significantly intense reflections	0.0498
Weighted residual factors for all reflections	0.1442
Weighted residual factors for significantly intense reflections	0.1195
Goodness-of-fit parameter for all reflections	1.047
Goodness-of-fit parameter for significantly intense reflections	1.053
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
179987 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/81.	7028103.cif
134621	2015-04-02	The 'cif_fix_values' script with an option '--fix-only-weighting-scheme' and 'cif_filter' script were run over CIF files which included an incorrect value of the data item '_refine_ls_weighting_scheme'. Read the log for more details. There were more than 18k CIF files with values to modify. Usually these incorrect values include comment with formulas, but values of this data item must be an enumerator. The script creates new data item '_refine_ls_weighting_details' to store these comments with formulas, and writes the enumerator 'calc' as a value of data item '_refine_ls_weighting_scheme'. There exists some exceptions in the script.	7028103.cif
97592	2014-01-29	cif/ Adding structures of 7028102, 7028103 via cif-deposit CGI script.	7028103.cif