Crystallography Open Database

Information card for entry 4112539

Preview

Coordinates	4112539.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H28 B F4 P2 Pd0.5
Calculated formula	C16 H28 B F4 P2 Pd0.5
Title of publication	Using Ligand Bite Angles To Control the Hydricity of Palladium Diphosphine Complexes
Authors of publication	James W. Raebiger; Alex Miedaner; Calvin J. Curtis; Susie M. Miller; Oren P. Anderson; Daniel L. DuBois
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	5502 - 5514
a	19.58 ± 0.02 Å
b	11.555 ± 0.013 Å
c	16.865 ± 0.019 Å
α	90°
β	99.802 ± 0.019°
γ	90°
Cell volume	3760 ± 7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0448
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for significantly intense reflections	0.1062
Weighted residual factors for all reflections included in the refinement	0.1083
Goodness-of-fit parameter for all reflections included in the refinement	1.131
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
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.	4112539.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112539.cif
64931	2012-08-30	cif/ Adding structures of 4112539 via cif-deposit CGI script.	4112539.cif