Crystallography Open Database

Information card for entry 1514893

Preview

Coordinates	1514893.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H37 Cl4 N7 O3 Pd2 S3
Calculated formula	C29 H37 Cl4 N7 O3 Pd2 S3
Title of publication	Consecutive modular ligation as an access route to palladium containing polymers
Authors of publication	Lang, Christiane; Pahnke, Kai; Kiefer, Claude; Goldmann, Anja S.; Roesky, Peter W.; Barner-Kowollik, Christopher
Journal of publication	Polymer Chemistry
Year of publication	2013
Journal volume	4
Journal issue	21
Pages of publication	5456
a	8.6458 ± 0.0017 Å
b	13.837 ± 0.003 Å
c	17.394 ± 0.004 Å
α	109.67 ± 0.03°
β	102.9 ± 0.03°
γ	95.46 ± 0.03°
Cell volume	1876.8 ± 0.9 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150.15 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1137
Residual factor for significantly intense reflections	0.0797
Weighted residual factors for significantly intense reflections	0.1915
Weighted residual factors for all reflections included in the refinement	0.2102
Goodness-of-fit parameter for all reflections included in the refinement	0.952
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1514893.cif
110397	2014-04-18	cif/ Adding structures of 1514892, 1514893 via cif-deposit CGI script.	1514893.cif