Crystallography Open Database

Information card for entry 4312793

Preview

Coordinates	4312793.cif
Original paper (by DOI)	HTML
External links	PubChem

Structure parameters

Formula	C84 H84 Ag2 F12 P10
Calculated formula	C84 H84 Ag2 F12 P10
SMILES	[Ag]123[P](CC[P]1(CC[P]1([Ag]4([P](CC1)(c1ccccc1)c1ccccc1)[P](CC[P]3(CC[P]2(c1ccccc1)c1ccccc1)c1ccccc1)(CC[P]4(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
Title of publication	Diastereoselectivity and Molecular Recognition in the Self-Assembly of Double-Stranded Dinuclear Metal Complexes of the Type [M2{(R,S)-tetraphos}2](PF6)2 (M = Ag and Au)
Authors of publication	Christopher J. Blake; Vernon C. Cook; Max A. Keniry; Heather J. Kitto; A. David Rae; Gerhard F. Swiegers; Anthony C. Willis; Johann Zank; S. Bruce Wild
Journal of publication	Inorganic Chemistry
Year of publication	2003
Journal volume	42
Pages of publication	8709 - 8715
a	10.3784 ± 0.0002 Å
b	47.32 ± 0.001 Å
c	17.3385 ± 0.0004 Å
α	90°
β	103.896 ± 0.0005°
γ	90°
Cell volume	8265.8 ± 0.3 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0916
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for all reflections	0.0477
Weighted residual factors for all reflections included in the refinement	0.0382
Goodness-of-fit parameter for all reflections	0.815
Goodness-of-fit parameter for all reflections included in the refinement	0.922
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301837 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/31/ Each referenced PubChem compound corresponds to the full crystal structure.	4312793.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4312793.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 {}'	4312793.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4312793.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4312793.cif
5856	2011-01-07	../uploads/cif-deposit/cod/cif Adding structures of 4312793 via cif-deposit CGI script.	4312793.cif