Crystallography Open Database

Information card for entry 4075337

Preview

Coordinates	4075337.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72.78 H124.56 B4 Cl1.56 F16 N5 P6 Pd2
Calculated formula	C66.783 H93.566 B4 Cl1.566 F16 N2 P6 Pd2
Title of publication	Electrochemical Reduction of CO2to CO Catalyzed by a Bimetallic Palladium Complex
Authors of publication	Raebiger, James W.; Turner, Jeffrey W.; Noll, Bruce C.; Curtis, Calvin J.; Miedaner, Alex; Cox, Brian; DuBois, Daniel L.
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	14
Pages of publication	3345
a	25.125 ± 0.006 Å
b	12.386 ± 0.003 Å
c	27.917 ± 0.006 Å
α	90°
β	92.821 ± 0.005°
γ	90°
Cell volume	8677 ± 3 Å³
Cell temperature	135 ± 2 K
Ambient diffraction temperature	135 ± 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	0.1292
Residual factor for significantly intense reflections	0.0823
Weighted residual factors for significantly intense reflections	0.2134
Weighted residual factors for all reflections included in the refinement	0.2383
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
178642 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/53.	4075337.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075337.cif
49187	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4075337 via cif-deposit CGI script.	4075337.cif