Crystallography Open Database

Information card for entry 4323372

Preview

Coordinates	4323372.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[SP-4-4-[(R~C~),(R~P~,R~P~)]]-bis[1-[1-dimethylamino)ethyl]-2-phenyl- C^2^,N](1,1,4,7,10,10-hexaphenyl-1,4,7,10-tetraphosphadecane- P,P,P,P)dipalladium(II) hexafluorophosphate
Formula	C62 H70 F12 N2 P6 Pd2
Calculated formula	C62 H70 F12 N2 P6 Pd2
Title of publication	Self-Assembly of Homochiral Double Helix and Side-by-Side Helix Conformers of Double-Stranded Disilver(I)- and Digold(I)-Tetra(tertiary phosphine) Helicates
Authors of publication	Anthea L. Airey; Gerhard F. Swiegers; Anthony C. Willis; S. Bruce Wild
Journal of publication	Inorganic Chemistry
Year of publication	1997
Journal volume	36
Pages of publication	1588 - 1597
a	10.841 ± 0.003 Å
b	13.668 ± 0.002 Å
c	22.33 ± 0.003 Å
α	90°
β	103.09 ± 0.01°
γ	90°
Cell volume	3222.8 ± 1.1 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.054
Residual factor for significantly intense reflections	0.036
Weighted residual factors for all reflections	0.039
Weighted residual factors for significantly intense reflections	0.034
Goodness-of-fit parameter for all reflections	2.01
Goodness-of-fit parameter for significantly intense reflections	2.043
Diffraction radiation wavelength	0.71069 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.	4323372.cif
130086	2015-01-23	cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ \| xargs -i sh -c 'cif_fix_values {} \ \| cif_filter --add-cif-header {} \ \| sponge {}'	4323372.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4323372.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4323372.cif
23400	2011-08-07	../uploads/cif-deposit/cod/cif Adding structures of 4323372 via cif-deposit CGI script.	4323372.cif