Crystallography Open Database

Information card for entry 7018128

Preview

Coordinates	7018128.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C77 H94 Cl6 N8 Pd4 S4
Calculated formula	C77 H94 Cl6 N8 Pd4 S4
Title of publication	Palladacycles bearing tridentate CNS-type benzamidinate ligands as catalysts for cross-coupling reactions.
Authors of publication	Wang, Wei-Chi; Peng, Kuo-Fu; Chen, Ming-Tsz; Chen, Chi-Tien
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	10
Pages of publication	3022 - 3029
a	9.7871 ± 0.0007 Å
b	11.3669 ± 0.0008 Å
c	19.8986 ± 0.0014 Å
α	102.632 ± 0.001°
β	96.538 ± 0.001°
γ	106.833 ± 0.001°
Cell volume	2030 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
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	0.0331
Residual factor for significantly intense reflections	0.0281
Weighted residual factors for significantly intense reflections	0.0855
Weighted residual factors for all reflections included in the refinement	0.0887
Goodness-of-fit parameter for all reflections included in the refinement	1.085
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7018128.html