Crystallography Open Database

Information card for entry 4312792

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Structure parameters

Formula	C84 H84 Au2 F12 P10
Calculated formula	C84 H84 Au2 F12 P10
SMILES	[Au]123[P](CC[P@]1(CC[P@@]1([Au]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	24.385 ± 0.004 Å
b	14.82 ± 0.004 Å
c	46.175 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	16687 ± 5 Å³
Cell temperature	193.2 K
Ambient diffraction temperature	193.2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 1 21
Hall space group symbol	P 2c
Residual factor for significantly intense reflections	0.085
Weighted residual factors for all reflections included in the refinement	0.118
Goodness-of-fit parameter for all reflections included in the refinement	1.75
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
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.	4312792.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.	4312792.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 {}'	4312792.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4312792.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4312792.cif
5855	2011-01-07	../uploads/cif-deposit/cod/cif Adding structures of 4312792 via cif-deposit CGI script.	4312792.cif