Crystallography Open Database

Information card for entry 4106070

Preview

Coordinates	4106070.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H41 F3 O7 P2 Pd S
Calculated formula	C37 H41 F3 O7 P2 Pd S
Title of publication	Pd-Catalyzed Copolymerization of Methyl Acrylate with Carbon Monoxide: Structures, Properties and Mechanistic Aspects toward Ligand Design
Authors of publication	Akifumi Nakamura; Kagehiro Munakata; Shingo Ito; Takuya Kochi; Lung Wa Chung; Keiji Morokuma; Kyoko Nozaki
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	6761 - 6779
a	9.252 ± 0.003 Å
b	24.067 ± 0.008 Å
c	17.032 ± 0.006 Å
α	90°
β	96.5948 ± 0.0013°
γ	90°
Cell volume	3767 ± 2 Å³
Cell temperature	103.15 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	7
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.031
Residual factor for significantly intense reflections	0.0285
Weighted residual factors for significantly intense reflections	0.0619
Weighted residual factors for all reflections included in the refinement	0.0635
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178806 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/60.	4106070.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106070.cif
52860	2012-04-16	../uploads/cif-deposit/cod/cif Adding structures of 4106070 via cif-deposit CGI script.	4106070.cif