Crystallography Open Database

Information card for entry 7716863

Preview

Coordinates	7716863.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H32 B Cl7 N3 O2 P Pt S
Calculated formula	C31 H32 B Cl7 N3 O2 P Pt S
SMILES	[Pt]12(c3c(C(=[N]2NC(=[S]1)NCC)C)ccc(c3)B(O)O)[P](c1ccccc1)(c1ccccc1)c1ccccc1.ClC(Cl)Cl.ClC(Cl)Cl.[Cl-]
Title of publication	Effect of mono- and dinuclear thiosemicarbazone platinacycles in the proliferation of a colorectal carcinoma cell line.
Authors of publication	Reigosa-Chamorro, Francisco; Cordeiro, Sandra; Pereira, M. Teresa; Filipe, Beatriz; Baptista, Pedro V.; Fernandes, Alexandra R.; Vila, José M
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	44
Pages of publication	17803 - 17818
a	10.9176 ± 0.001 Å
b	13.5362 ± 0.0011 Å
c	13.8789 ± 0.0012 Å
α	109.523 ± 0.003°
β	102.812 ± 0.004°
γ	93.106 ± 0.004°
Cell volume	1866.6 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0848
Residual factor for significantly intense reflections	0.0618
Weighted residual factors for significantly intense reflections	0.1241
Weighted residual factors for all reflections included in the refinement	0.1386
Goodness-of-fit parameter for all reflections included in the refinement	1.073
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
298703 (current)	2025-04-03	cif/7: Fixing Z values and formulae	7716863.cif
296503	2024-12-06	cif/ Updating files of 7716863, 7716864 Original log message: Adding full bibliography for 7716863--7716864.cif.	7716863.cif
294200	2024-08-24	cif/ Adding structures of 7716863, 7716864 via cif-deposit CGI script.	7716863.cif