Crystallography Open Database

Information card for entry 7018200

Preview

Coordinates	7018200.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H36 Au2 F6 N3 P3
Calculated formula	C44 H36 Au2 F6 N3 P3
Title of publication	Cytotoxic gold compounds: synthesis, biological characterization and investigation of their inhibition properties of the zinc finger protein PARP-1.
Authors of publication	Serratrice, Maria; Edafe, Fabio; Mendes, Filipa; Scopelliti, Rosario; Zakeeruddin, Shaik Mohammed; Grätzel, Michael; Santos, Isabel; Cinellu, Maria Agostina; Casini, Angela
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	11
Pages of publication	3287 - 3293
a	24.654 ± 0.004 Å
b	11.8666 ± 0.0017 Å
c	14.493 ± 0.002 Å
α	90°
β	104.051 ± 0.013°
γ	90°
Cell volume	4113.2 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1186
Residual factor for significantly intense reflections	0.1014
Weighted residual factors for significantly intense reflections	0.2502
Weighted residual factors for all reflections included in the refinement	0.2593
Goodness-of-fit parameter for all reflections included in the refinement	1.161
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
179886 (current)	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 7/01/82.	7018200.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7018200.cif
37684	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 7018200 via cif-deposit CGI script.	7018200.cif