Crystallography Open Database

Information card for entry 4072209

Preview

Coordinates	4072209.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C100 H110 B2 Cl2 P2 Pd2 S2
Calculated formula	C100 H110 B2 Cl2 P2 Pd2 S2
Title of publication	Group 10 Transition-Metal Complexes of an Ambiphilic PSB-Ligand: Investigations into η3(BCC)-Triarylborane Coordination
Authors of publication	Emslie, David J. H.; Harrington, Laura E.; Jenkins, Hilary A.; Robertson, Craig M.; Britten, James F.
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	20
Pages of publication	5317
a	31.3273 ± 0.0012 Å
b	14.7189 ± 0.0006 Å
c	21.3425 ± 0.0008 Å
α	90°
β	91.473 ± 0.002°
γ	90°
Cell volume	9837.8 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1662
Residual factor for significantly intense reflections	0.0754
Weighted residual factors for significantly intense reflections	0.1582
Weighted residual factors for all reflections included in the refinement	0.1827
Goodness-of-fit parameter for all reflections included in the refinement	0.925
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
178611 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/22.	4072209.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4072209.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4072209.cif
44294	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4072209 via cif-deposit CGI script.	4072209.cif