Crystallography Open Database

Information card for entry 7057369

Preview

Coordinates	7057369.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H32 Br2 O P2 Pd
Calculated formula	C39 H32 Br2 O P2 Pd
Title of publication	New Pd/Pt(ii) complexes as unsymmetrical ylide-based chemotherapeutic agents: synthesis, characterization, biological activity, electrochemical, and X-ray studies
Authors of publication	Sabounchei, Seyyed Javad; Badpa, Khadijeh; Nematollahi, Davood; Sharafi-kolkeshvandi, Mahnaz; Hosseinzadeh, Leila; Karamian, Roya; Ghasemlou, Fatemeh; Gable, Robert W.
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	11
Pages of publication	8968
a	14.84001 ± 0.0001 Å
b	16.55137 ± 0.00008 Å
c	28.2482 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	6938.39 ± 0.08 Å³
Cell temperature	130 ± 0.1 K
Ambient diffraction temperature	130 ± 0.1 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0285
Residual factor for significantly intense reflections	0.0269
Weighted residual factors for significantly intense reflections	0.0686
Weighted residual factors for all reflections included in the refinement	0.0698
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
230530 (current)	2019-11-17	cif/ Updating files of 7057369, 7057370, 7057371 Original log message: Adding full bibliography for 7057369--7057371.cif.	7057369.cif
207524	2018-04-30	cif/ Adding structures of 7057369, 7057370, 7057371 via cif-deposit CGI script.	7057369.cif