Crystallography Open Database

Information card for entry 7021799

Preview

Coordinates	7021799.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C224 H174 Au12 F36 Mo24 O90 P14
Calculated formula	C224 H168 Au12 F36 Mo24 O90 P14
SMILES	c1(ccc(F)cc1)[P](c1ccc(F)cc1)(c1ccc(F)cc1)[Au]12[Au]([P](c3ccc(F)cc3)(c3ccc(F)cc3)c3ccc(F)cc3)(O1)[Au]1(O[Au]21[P](c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)[P](c1ccc(cc1)F)(c1ccc(F)cc1)c1ccc(F)cc1.Fc1ccc([P]([Au]23O[Au]2([P](c2ccc(cc2)F)(c2ccc(cc2)F)c2ccc(cc2)F)[Au]2(O[Au]32[P](c2ccc(cc2)F)(c2ccc(cc2)F)c2ccc(cc2)F)[P](c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)cc1.O=[Mo]1234O[Mo]567(O[Mo]89(O1)(O[Mo]1%10%11(=O)O[Mo]%12%13(O3)(=O)O[Mo]3%14(O2)(=O)O[Mo]2%15%16(O[Mo]%17(O%12)(O%10)(O[Mo]%10%12(O[Mo]%18(O8)(=O)(O1)O[Mo]1(O5)(O%10)([O]6(=P([O]4%133)([O]9%11%18)[O]2%17%12)[Mo](O7)(=O)(O%14)(O1)O%15)=O)(=O)O%16)=O)=O)=O)=O.[P]([Au]12O[Au]1([P](c1ccc(cc1)F)(c1ccc(cc1)F)c1ccc(cc1)F)[Au]1(O[Au]21[P](c1ccc(cc1)F)(c1ccc(cc1)F)c1ccc(cc1)F)[P](c1ccc(cc1)F)(c1ccc(F)cc1)c1ccc(F)cc1)(c1ccc(cc1)F)(c1ccc(F)cc1)c1ccc(F)cc1.CCO.CCO.O=[Mo]1234O[Mo]567(=O)O[Mo]89(=O)(O1)O[Mo]1%10%11(=O)O[Mo]%12%13(O6)(=O)O[Mo]6%14(O5)(=O)O[Mo]5%15(O2)(=O)O[Mo]2%16(O3)(=O)O[Mo]3(O8)(=O)(O1)O[Mo]18(O2)(O[Mo]2(O%12)(O%10)(O[Mo](O5)(O6)(O1)(=O)[O]82P([O]4%15%16)([O]7%13%14)=[O]9%113)=O)=O.CCO.CCO
Title of publication	Two types of tetranuclear phosphanegold(i) cations as dimers of dinuclear units, [{(Au{P(p-RPh)3})2(μ-OH)}2](2+) (R = Me, F), synthesized by polyoxometalate-mediated clusterization.
Authors of publication	Yoshida, Takuya; Matsunaga, Satoshi; Nomiya, Kenji
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	32
Pages of publication	11418 - 11425
a	17.285 ± 0.0014 Å
b	22.6003 ± 0.0019 Å
c	22.684 ± 0.0018 Å
α	75.933 ± 0.002°
β	80.236 ± 0.002°
γ	78.267 ± 0.002°
Cell volume	8348.4 ± 1.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.0877
Residual factor for significantly intense reflections	0.0544
Weighted residual factors for significantly intense reflections	0.144
Weighted residual factors for all reflections included in the refinement	0.1638
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
179922 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/17.	7021799.cif
87692	2013-08-27	cif/ Adding structures of 7021797, 7021798, 7021799 via cif-deposit CGI script.	7021799.cif