Crystallography Open Database

Information card for entry 7218291

Preview

Coordinates	7218291.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C90 H62 Cd2 N2 O20
Calculated formula	C90 H62 Cd2 N2 O20
SMILES	N(C)(C)C=[O][Cd]123([O]=C(c4cccc(c4)c4cccc5c4C(=O)c4c(C5=O)cccc4)O2)([O]=C([O]1[Cd]12([O]=C(c4cccc(c4)c4cccc5c4C(=O)c4c(C5=O)cccc4)O1)([O]=C([O]32)c1cccc(c1)c1cccc2c1C(=O)c1c(C2=O)cccc1)([O]=CN(C)C)[OH2])c1cccc(c1)c1c2C(=O)c3c(cccc3)C(=O)c2ccc1)[OH2]
Title of publication	Dinuclear Cd(ii), Mn(ii) and Cu(ii) complexes derived from (anthraquinone-1-diyl) benzoate: DNA binding and cleavage studies
Authors of publication	Liu, Lin; Zhang, Gong-Ming; Zhu, Ru-Gang; Liu, Yong-Hui; Yao, Hui-Meng; Han, Zheng-Bo
Journal of publication	RSC Adv.
Year of publication	2014
Journal volume	4
Journal issue	87
Pages of publication	46639
a	8.0107 ± 0.0019 Å
b	14.519 ± 0.004 Å
c	17.487 ± 0.004 Å
α	109.295 ± 0.003°
β	97.629 ± 0.003°
γ	103.764 ± 0.003°
Cell volume	1814.3 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0649
Residual factor for significantly intense reflections	0.0514
Weighted residual factors for significantly intense reflections	0.14
Weighted residual factors for all reflections included in the refinement	0.1506
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
180513 (current)	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 7/21/82.	7218291.cif
124305	2014-09-27	cif/ Adding structures of 7218291, 7218292, 7218293 via cif-deposit CGI script.	7218291.cif