Crystallography Open Database

Information card for entry 1550433

Preview

Coordinates	1550433.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[PdCl(PNP-C2-Me)](PF6)
Formula	C35 H30 Cl3 F6 N O4.4 P3 Pd
Calculated formula	C35 H30 Cl3 F6 N O4.4 P3 Pd
Title of publication	Performance of enhanced DuBois type water reduction catalysts (WRC) in artificial photosynthesis - effects of various proton relays during catalysis.
Authors of publication	Viertl, Wolfgang; Pann, Johann; Pehn, Richard; Roithmeyer, Helena; Bendig, Marvin; Rodríguez-Villalón, Alba; Bereiter, Raphael; Heiderscheid, Max; Müller, Thomas; Zhao, Xia; Hofer, Thomas S.; Thompson, Mark E.; Shi, Shuyang; Brueggeller, Peter
Journal of publication	Faraday discussions
Year of publication	2019
Journal volume	215
Journal issue	0
Pages of publication	141 - 161
a	12.3522 ± 0.0003 Å
b	26.1118 ± 0.0006 Å
c	13.6448 ± 0.0003 Å
α	90°
β	113.138 ± 0.001°
γ	90°
Cell volume	4046.96 ± 0.16 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	8
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	0.0424
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for significantly intense reflections	0.1017
Weighted residual factors for all reflections included in the refinement	0.1033
Goodness-of-fit parameter for all reflections included in the refinement	1.088
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
224592 (current)	2019-11-08	cif/ Updating files of 1550432, 1550433, 1550434, 1550435, 1550436 Original log message: Adding full bibliography for 1550432--1550436.cif.	1550433.cif
212972	2019-01-11	cif/ Adding structures of 1550432, 1550433, 1550434, 1550435, 1550436 via cif-deposit CGI script.	1550433.cif