Crystallography Open Database

Information card for entry 4001056

Preview

Coordinates	4001056.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H70 Br2 P4 Pd2
Calculated formula	C38 H70 Br2 P4 Pd2
SMILES	CC[P]([Pd]([P](CC)(CC)CC)(c1ccc(cc1)/C=C/c1ccc(cc1)[Pd]([P](CC)(CC)CC)([P](CC)(CC)CC)Br)Br)(CC)CC
Title of publication	Positive Constructs: Charges Localized on Surface-Confined Organometallic Oligomers
Authors of publication	Altman, Marc; Zenkina, Olena V.; Ichiki, Takahiko; Iron, Mark A.; Evmenenko, Guennadi; Dutta, Pulak; van der Boom, Milko E.
Journal of publication	Chemistry of Materials
Year of publication	2009
Journal volume	21
Journal issue	19
Pages of publication	4676
a	9.4541 ± 0.0003 Å
b	16.3285 ± 0.0005 Å
c	15.0644 ± 0.0005 Å
α	90°
β	90.212 ± 0.001°
γ	90°
Cell volume	2325.49 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0506
Residual factor for significantly intense reflections	0.034
Weighted residual factors for significantly intense reflections	0.0809
Weighted residual factors for all reflections included in the refinement	0.0885
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4001056.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4001056.cif
38947	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4001056 via cif-deposit CGI script.	4001056.cif