Crystallography Open Database

Information card for entry 4085091

Preview

Coordinates	4085091.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59 H60 Cl2 O10 P2 Pd2
Calculated formula	C59 H60 Cl2 O10 P2 Pd2
Title of publication	Remarkable Ligand Effect of P(2-MeOC6H4)3on Palladium-Catalyzed Direct Arylation
Authors of publication	Wakioka, Masayuki; Nakamura, Yuki; Montgomery, Michelle; Ozawa, Fumiyuki
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	1
Pages of publication	198
a	10.3173 ± 0.0009 Å
b	18.9616 ± 0.0017 Å
c	28.18 ± 0.003 Å
α	90°
β	93.9811 ± 0.0012°
γ	90°
Cell volume	5499.6 ± 0.9 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	6
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	0.0438
Residual factor for significantly intense reflections	0.0405
Weighted residual factors for significantly intense reflections	0.1076
Weighted residual factors for all reflections included in the refinement	0.1135
Goodness-of-fit parameter for all reflections included in the refinement	1.101
Diffraction radiation probe	x-ray
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
178739 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/50.	4085091.cif
130793	2015-02-04	cif/ Updating files of 4085091, 4085092 Original log message: Adding full bibliography for 4085091--4085092.cif.	4085091.cif
129243	2014-12-30	cif/ Adding structures of 4085091, 4085092 via cif-deposit CGI script.	4085091.cif