Crystallography Open Database

Information card for entry 7217683

Preview

Coordinates	7217683.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H26 N4 Pd S4
Calculated formula	C28 H26 N4 Pd S4
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	6.503 ± 0.006 Å
b	10.171 ± 0.009 Å
c	11.709 ± 0.01 Å
α	75.41 ± 0.08°
β	80.37 ± 0.08°
γ	72.19 ± 0.08°
Cell volume	710.1 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1376
Residual factor for significantly intense reflections	0.0775
Weighted residual factors for significantly intense reflections	0.1631
Weighted residual factors for all reflections included in the refinement	0.2144
Goodness-of-fit parameter for all reflections included in the refinement	0.93
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7217683.html