Crystallography Open Database

Information card for entry 4341351

Preview

Coordinates	4341351.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23.5 H33.75 B2 Cl F8 N6 O0.19 Pd
Calculated formula	C23.5 H33.434 B2 Cl F8 N6 O0.217 Pd
Title of publication	Electrocatalytic Reduction of CO2 with Palladium Bis-N-heterocyclic Carbene Pincer Complexes.
Authors of publication	Therrien, Jeffrey A.; Wolf, Michael O.; Patrick, Brian O.
Journal of publication	Inorganic chemistry
Year of publication	2014
Pages of publication	141022083740000
a	8.3763 ± 0.0012 Å
b	11.8244 ± 0.0017 Å
c	16.462 ± 0.003 Å
α	76.396 ± 0.008°
β	85.371 ± 0.009°
γ	69.781 ± 0.008°
Cell volume	1487.1 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0667
Residual factor for significantly intense reflections	0.0468
Weighted residual factors for significantly intense reflections	0.1012
Weighted residual factors for all reflections included in the refinement	0.111
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4341351.cif
125747	2014-10-23	cif/ Adding structures of 4341351 via cif-deposit CGI script.	4341351.cif