Crystallography Open Database

Information card for entry 4302000

4301999 << 4302000 >> 4302001

Preview

Coordinates	4302000.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C81 H81.5 Au4 F12 Fe2 N2 O1.75 P6 S4
Calculated formula	C81 H81.5 Au4 F12 Fe2 N2 O1.75 P6 S4
Title of publication	Multimetallic Arrays: Bi-, Tri-, Tetra-, and Hexametallic Complexes Based on Gold(I) and Gold(III) and the Surface Functionalization of Gold Nanoparticles with Transition Metals
Authors of publication	Edward R. Knight; Nina H. Leung; Amber L. Thompson; G. Hogarth; James D. E. T. Wilton-Ely
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	3866 - 3874
a	35.0136 ± 0.0003 Å
b	11.0802 ± 0.0001 Å
c	22.152 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	8594.04 ± 0.13 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	9
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0547
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.0886
Weighted residual factors for all reflections included in the refinement	0.094
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4302000.cif
171422	2015-12-10	cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_systematic tags with the multiline value '.' from multiple entries.	4302000.cif
129439	2015-01-07	cod/ (robertas@burundukas) Correcting values of _exptl_crystal_density_meas and _exptl_crystal_density_method data items: codsql "select codid from validation where message like '%\\'_exptl_crystal_density_meas\\' value \"not measured\" is %'" -NB \ \| codid2file \ \| xargs perl -i -pe "s/_exptl_crystal_density_meas\\s+'not +measured'/_exptl_crystal_density_meas ?/i; \ s/_exptl_crystal_density_method\\s+('not +measured'\|\\?\|none)/_exptl_crystal_density_method ./i"	4302000.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4302000.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4302000.cif
17004	2011-03-31	cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif \| sort \| xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} \| > cif_filter --add-cif-header {} \| > sponge {} ) 2>&1 \| grep NOTE; then svn revert {}; > fi' ) &	4302000.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	4302000.cif
1054	2010-03-28	cif/4/ Adding data extracted in Inorg-Chem-2009_01-10/ processing.	4302000.cif