Crystallography Open Database

Information card for entry 7127186

Preview

Coordinates	7127186.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H59 Cl11 N8 O8 Pd2
Calculated formula	C53 H59 Cl11 N8 O8 Pd2
Title of publication	The anticancer activity of an air-stable Pd(I)-NHC (NHC = N-heterocyclic carbene) dimer.
Authors of publication	Scattolin, Thomas; Bortolamiol, Enrica; Palazzolo, Stefano; Caligiuri, Isabella; Perin, Tiziana; Canzonieri, Vincenzo; Demitri, Nicola; Rizzolio, Flavio; Cavallo, Luigi; Dereli, Busra; Mane, Manoj V.; Nolan, Steven P.; Visentin, Fabiano
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	81
Pages of publication	12238 - 12241
a	12.18 ± 0.002 Å
b	15.906 ± 0.003 Å
c	33.211 ± 0.007 Å
α	90°
β	93.15 ± 0.03°
γ	90°
Cell volume	6424 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0702
Residual factor for significantly intense reflections	0.0529
Weighted residual factors for significantly intense reflections	0.1426
Weighted residual factors for all reflections included in the refinement	0.1534
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.6203 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
260623 (current)	2021-01-07	cif/ Updating files of 7127186 Original log message: Adding full bibliography for 7127186.cif.	7127186.cif
255906	2020-09-05	cif/ Adding structures of 7127186 via cif-deposit CGI script.	7127186.cif