Crystallography Open Database

Information card for entry 7047891

Preview

Coordinates	7047891.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H19 I N2 Ni S2
Calculated formula	C16 H19 I N2 Ni S2
Title of publication	In vitro and in vivo antiproliferative activity of organo-nickel SCS-pincer complexes on estrogen responsive MCF7 and MC4L2 breast cancer cells. Effects of amine fragment substitutions on BSA binding and cytotoxicity.
Authors of publication	Hosseini-Kharat, Mahboubeh; Zargarian, Davit; Alizadeh, Ali Mohammad; Karami, Kazem; Saeidifar, Maryam; Khalighfard, Solmaz; Dubrulle, Laurent; Zakariazadeh, Mostafa; Cloutier, Jean-Philippe; Sohrabijam, Zahra
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	47
Pages of publication	16944 - 16957
a	12.5312 ± 0.0003 Å
b	12.19 ± 0.0003 Å
c	22.246 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	3398.2 ± 0.15 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.0492
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.1153
Weighted residual factors for all reflections included in the refinement	0.1218
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
229695 (current)	2019-11-17	cif/ Updating files of 7047890, 7047891, 7047892 Original log message: Adding full bibliography for 7047890--7047892.cif.	7047891.cif
211647	2018-10-26	cif/ Adding structures of 7047890, 7047891, 7047892 via cif-deposit CGI script.	7047891.cif