Crystallography Open Database

Information card for entry 7217684

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Coordinates	7217684.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H20 N2 O4 Pt S4
Calculated formula	C22 H20 N2 O4 Pt S4
SMILES	[Pt]12([S]=C(N(Cc3ccco3)Cc3ccco3)S1)[S]=C(N(Cc1ccco1)Cc1ccco1)S2
Title of publication	Intermolecular anagostic interactions in group 10 metal dithiocarbamates
Authors of publication	Gupta, Ajit N.; Kumar, Vinod; Singh, Vikram; Manar, Krishna K.; Drew, Michael G. B.; Singh, Nanhai
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	39
Pages of publication	9299
a	5.7453 ± 0.0003 Å
b	19.0518 ± 0.001 Å
c	11.076 ± 0.0007 Å
α	90°
β	91.441 ± 0.004°
γ	90°
Cell volume	1211.98 ± 0.12 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.066
Residual factor for significantly intense reflections	0.0378
Weighted residual factors for significantly intense reflections	0.059
Weighted residual factors for all reflections included in the refinement	0.0671
Goodness-of-fit parameter for all reflections included in the refinement	0.927
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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