Crystallography Open Database

Information card for entry 7012419

Preview

Coordinates	7012419.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H42 Cl2 Cu N16 O16
Calculated formula	C49 H42 Cl2 Cu N16 O16
Title of publication	Synthesis and characterization of new coordination polymers generated from oxadiazole-containing ligand and inorganic M(ii) [M = Cu(ii), Co(ii)] salts
Authors of publication	Dong, Yu-Bin; Ma, Jian-Ping; Huang, Ru-Qi; Liang, Fang-Zhen; Smith, Mark D.
Journal of publication	Dalton Transactions
Year of publication	2003
Journal issue	8
Pages of publication	1472
a	12.4658 ± 0.0007 Å
b	12.1314 ± 0.0007 Å
c	17.8301 ± 0.001 Å
α	90°
β	100.182 ± 0.001°
γ	90°
Cell volume	2653.9 ± 0.3 Å³
Cell temperature	150 ± 0.2 K
Ambient diffraction temperature	150 ± 0.2 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 all reflections	0.0534
Residual factor for significantly intense reflections	0.0455
Weighted residual factors for significantly intense reflections	0.1109
Weighted residual factors for all reflections included in the refinement	0.1137
Goodness-of-fit parameter for all reflections included in the refinement	0.993
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
213973 (current)	2019-03-05	cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries.	7012419.cif
179828	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 7/01/24.	7012419.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7012419.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7012419.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7012419.cif