Crystallography Open Database

Information card for entry 7216703

Preview

Coordinates	7216703.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H47 Cu6 I6 N17 O8
Calculated formula	C42 H47 Cu6 I6 N17 O8
SMILES	[Cu]1234(I)[O]5[Cu]67([N](N=C8[O]6[Cu]69(I)([O]%10[Cu]%11%12([N](N=C([O]1%11)C(=[N]4O)C)=C(c1[n]%12cccc1)C)[N](O)=C(C%10=N[N]9=C(c1[n]6cccc1)C)C)[N](O)=C8C)=C(c1[n]7cccc1)C)[N](O)=C(C5=N[N]3=C(c1[n]2cccc1)C)C.[Cu]12([Cu](I)([I]1)[I]2)I.C(#N)C
Title of publication	Two low-dimensional Schiff base copper(i/ii) complexes: synthesis, characterization and catalytic activity for degradation of organic dyes
Authors of publication	Hong, Xu-Jia; Liu, Xiang; Zhang, Jing-Bo; Lin, Chu-Ling; Wu, Xiao; Ou, Yan-Jun; Yang, Jian; Jin, Hong-Guang; Cai, Yue-Peng
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	34
Pages of publication	7926
a	16.408 ± 0.005 Å
b	23.207 ± 0.007 Å
c	16.67 ± 0.005 Å
α	90°
β	98.473 ± 0.005°
γ	90°
Cell volume	6278 ± 3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.1358
Residual factor for significantly intense reflections	0.0589
Weighted residual factors for significantly intense reflections	0.1398
Weighted residual factors for all reflections included in the refinement	0.1799
Goodness-of-fit parameter for all reflections included in the refinement	1.002
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
198633 (current)	2017-07-11	cod/ (melanie@ameba.ibt.lt) Correcting the '_refine_ls_hydrogen_treatment' data item 'constr' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i \| cif_filter --no-exclude-publication-details -h $i \| sponge $i A total of 700 files were changed.	7216703.cif
180498	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/67.	7216703.cif
121601	2014-08-08	cif/ Updating files of 7216702, 7216703, 7216704 Original log message: Adding full bibliography for 7216702--7216704.cif.	7216703.cif
117974	2014-06-23	cif/ Adding structures of 7216702, 7216703, 7216704 via cif-deposit CGI script.	7216703.cif