Crystallography Open Database

Information card for entry 7110648

Preview

Coordinates	7110648.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C102.5 H213 Cl21 O16 P8 Pd4
Calculated formula	C102.5 H213 Cl21 O16 P8 Pd4
Title of publication	Highly active and selective catalysts for the production of methyl propanoate via the methoxycarbonylation of ethene
Authors of publication	Clegg, William; Elsegood, Mark R. J.; Eastham, Graham R.; Tooze, Robert P.; Wang, Xiao Lan; Whiston, Keith
Journal of publication	Chemical Communications
Year of publication	1999
Journal issue	18
Pages of publication	1877
a	38.53 ± 0.002 Å
b	19.1969 ± 0.0009 Å
c	20.3787 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	15073.2 ± 1.3 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	6
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.1329
Residual factor for significantly intense reflections	0.0723
Weighted residual factors for significantly intense reflections	0.1407
Weighted residual factors for all reflections included in the refinement	0.168
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
180220 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/06.	7110648.cif
95652	2014-01-28	cif/ Adding structures of 7110648 via cif-deposit CGI script.	7110648.cif