Crystallography Open Database

Information card for entry 7056730

Preview

Coordinates	7056730.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H78 N12 O6 Pt2 S4
Calculated formula	C72 H78 N12 O6 Pt2 S4
Title of publication	Rare, Hypodentate L-κS Coordination Mode of N,N-dialkyl-N’-aroylthioureas leads to Unprecedented Mixed-ligand [Pt(phen)(L-κS)2] Complexes..
Authors of publication	Koch, Klaus R.; Kotze, Izak; smith, vincent; Kangara, Edmore F.
Journal of publication	New Journal of Chemistry
Year of publication	2017
Journal volume	41
Journal issue	24
Pages of publication	14995 - 15002
a	13.203 ± 0.006 Å
b	14.849 ± 0.007 Å
c	19.502 ± 0.009 Å
α	102.474 ± 0.005°
β	108.801 ± 0.005°
γ	94.644 ± 0.005°
Cell volume	3487 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Ambient diffracton pressure	101.3 kPa
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0709
Residual factor for significantly intense reflections	0.0431
Weighted residual factors for significantly intense reflections	0.0903
Weighted residual factors for all reflections included in the refinement	0.1012
Goodness-of-fit parameter for all reflections included in the refinement	0.988
Diffraction radiation probe	x-ray
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
301442 (current)	2025-08-04	Updating journal pages, volumes and years from the data sent by Robert McMeeking. cod/ (saulius@pterodaktilis)	7056730.cif
202592	2017-11-04	cif/ Adding structures of 7056729, 7056730 via cif-deposit CGI script.	7056730.cif