Crystallography Open Database

Information card for entry 4301589

Preview

Coordinates	4301589.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C178 H188 Ag6 Cl3 N2 P5 S6
Calculated formula	C171 H177 Ag6 P5 S6
SMILES	[Ag]64[S]5C(=C1c2c(c3ccc(cc13)C(C)(C)C)ccc(c2)C(C)(C)C)[S]7[Ag]([P](c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C)[S]8[Ag][S](C(=C1c2c(c3ccc(cc13)C(C)(C)C)ccc(c2)C(C)(C)C)[S]6([Ag]5[P](c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C)[Ag]7[P](c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C)[Ag]([S]4C8=C1c2c(c3ccc(cc13)C(C)(C)C)ccc(c2)C(C)(C)C)([P](c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C)[P](c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C
Title of publication	Novel Types of Tetra-, Hexa-, Octa-, and Dodecanuclear Silver Clusters Containing (2,7-Di-tert-butylfluoren-9-ylidene)methanedithiolate
Authors of publication	José Vicente; Pablo González-Herrero; Yolanda García-Sánchez; Peter G. Jones
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	2060 - 2071
a	16.5832 ± 0.0005 Å
b	17.4121 ± 0.0005 Å
c	32.9195 ± 0.001 Å
α	75.352 ± 0.003°
β	75.838 ± 0.003°
γ	63.234 ± 0.003°
Cell volume	8116.5 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0707
Residual factor for significantly intense reflections	0.0543
Weighted residual factors for significantly intense reflections	0.1236
Weighted residual factors for all reflections included in the refinement	0.1282
Goodness-of-fit parameter for all reflections included in the refinement	1.082
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
179053 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/15.	4301589.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"	4301589.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4301589.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4301589.cif
1054	2010-03-28	cif/4/ Adding data extracted in Inorg-Chem-2009_01-10/ processing.	4301589.cif