Crystallography Open Database

Information card for entry 7113814

Preview

Coordinates	7113814.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H28 Au Cl N4 O4
Calculated formula	C44 H28 Au Cl N4 O4
SMILES	[O-]Cl(=O)(=O)=O.[Au]123n4c5C(=c6ccc(C(=c7ccc(=C(c8ccccc8)c8ccc(=C(c4cc5)c4ccccc4)[n]28)n37)c2ccccc2)[n]16)c1ccccc1
Title of publication	Gold(III) porphyrins as a new class of anticancer drugs: cytotoxicity, DNA binding and induction of apoptosis in human cervix epitheloid cancer cells
Authors of publication	Che, Chi-Ming; Sun, Raymond Wai-Yin; Yu, Wing-Yiu; Ko, Chi-Bun; Zhu, Nianyong; Sun, Hongzhe
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2003
Journal issue	14
Pages of publication	1718 - 1719
a	8.102 ± 0.0016 Å
b	20.964 ± 0.004 Å
c	20.06 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	3407.2 ± 1.2 Å³
Cell temperature	253 ± 2 K
Ambient diffraction temperature	253 ± 2 K
Number of distinct elements	6
Space group number	52
Hermann-Mauguin space group symbol	P n n a
Hall space group symbol	-P 2a 2bc
Residual factor for all reflections	0.0645
Residual factor for significantly intense reflections	0.0308
Weighted residual factors for significantly intense reflections	0.079
Weighted residual factors for all reflections included in the refinement	0.104
Goodness-of-fit parameter for all reflections included in the refinement	0.934
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7103745
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
210646 (current)	2018-09-09	cif/7/ Updating bibliography in entries 7103745, 7113814. Marking entry 7113814 as a duplicate of entry 7103745.	7113814.cif
180252	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/38.	7113814.cif
115287	2014-06-02	cif/ Adding structures of 7113814 via cif-deposit CGI script.	7113814.cif