Crystallography Open Database

Information card for entry 4068638

Preview

Coordinates	4068638.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C65.54 H58.09 Cl6.09 N2 P4 Pd Ru
Calculated formula	C64 H55 Cl3 N2 P4 Pd Ru
Title of publication	Coordinating Tectons: Bipyridyl-Terminated Group 8 Alkynyl Complexes
Authors of publication	Koutsantonis, George A.; Jenkins, Gareth I.; Schauer, Phil A.; Szczepaniak, Barbara; Skelton, Brian W.; Tan, Colin; White, Allan H.
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	7
Pages of publication	2195
a	16.9892 ± 0.0005 Å
b	13.3623 ± 0.0003 Å
c	54.955 ± 0.003 Å
α	90°
β	95.187 ± 0.004°
γ	90°
Cell volume	12424.5 ± 0.8 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0939
Residual factor for significantly intense reflections	0.0798
Weighted residual factors for significantly intense reflections	0.2125
Weighted residual factors for all reflections included in the refinement	0.2245
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178576 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/86.	4068638.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068638.cif
39902	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068631, 4068632, 4068633, 4068634, 4068635, 4068636, 4068637, 4068638 via cif-deposit CGI script.	4068638.cif