Crystallography Open Database

Information card for entry 1507996

Preview

Coordinates	1507996.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H22 F2 N2 O4 Pd2
Calculated formula	C30 H22 F2 N2 O4 Pd2
SMILES	[Pd]12([O]=C(C)O[Pd]3(F)([O]=C(O1)C)[n]1cccc4ccc5cccc3c5c14)(F)[n]1cccc3ccc4cccc2c4c13
Title of publication	Synthesis and structure of solution-stable one-dimensional palladium wires.
Authors of publication	Campbell, Michael G.; Powers, David C.; Raynaud, Jean; Graham, Michael J.; Xie, Ping; Lee, Eunsung; Ritter, Tobias
Journal of publication	Nature chemistry
Year of publication	2011
Journal volume	3
Journal issue	12
Pages of publication	949 - 953
a	11.828 ± 0.0019 Å
b	12.398 ± 0.002 Å
c	13.938 ± 0.002 Å
α	85.265 ± 0.003°
β	69.159 ± 0.002°
γ	68.396 ± 0.002°
Cell volume	1773.2 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0395
Residual factor for significantly intense reflections	0.0299
Weighted residual factors for significantly intense reflections	0.0691
Weighted residual factors for all reflections included in the refinement	0.0712
Goodness-of-fit parameter for all reflections included in the refinement	1.073
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
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.	1507996.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1507996.cif
62542	2012-07-09	cif/ Adding structures of 1507996 via cif-deposit CGI script.	1507996.cif