Crystallography Open Database

Information card for entry 7020817

7020816 << 7020817 >> 7020818

Preview

Coordinates	7020817.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H36 Gd N5 O13
Calculated formula	C42 H34 Gd N5 O13
SMILES	[Gd]12345(OC(/C=C/c6cc(OC)c(O)cc6)=CC(=[O]1)/C=C/c1cc(OC)c(O)cc1)([n]1c(c6[n]2cccc6)cc(c2ccccc2)cc1c1[n]5cccc1)(ON(=[O]4)=O)ON(=[O]3)=O.O
Title of publication	Enhancing the photocytotoxic potential of curcumin on terpyridyl lanthanide(III) complex formation.
Authors of publication	Hussain, Akhtar; Somyajit, Kumar; Banik, Bhabatosh; Banerjee, Samya; Nagaraju, Ganesh; Chakravarty, Akhil R.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	1
Pages of publication	182 - 195
a	10.7275 ± 0.0006 Å
b	12.4582 ± 0.0008 Å
c	15.0207 ± 0.0009 Å
α	86.869 ± 0.004°
β	89.236 ± 0.004°
γ	80.443 ± 0.004°
Cell volume	1976.6 ± 0.2 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	0.1476
Residual factor for significantly intense reflections	0.0526
Weighted residual factors for significantly intense reflections	0.0884
Weighted residual factors for all reflections included in the refinement	0.1147
Goodness-of-fit parameter for all reflections included in the refinement	0.978
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
179913 (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 7/02/08.	7020817.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7020817.cif
73677	2013-02-21	cif/ Adding structures of 7020816, 7020817 via cif-deposit CGI script.	7020817.cif