Crystallography Open Database

Information card for entry 2231665

Preview

Coordinates	2231665.cif
Structure factors	2231665.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>catena</i>-Poly[[tetrakis(hexamethylphosphoramide-κ<i>O</i>)bis(nitrato- κ^2^<i>O</i>,<i>O</i>')yttrium(III)] [silver(I)-di-μ-sulfido-molybdenum(VI)-di-μ-sulfido]] yttrium(III)]
Formula	C24 H72 Ag Mo N14 O10 P4 S4 Y
Calculated formula	C24 H72 Ag Mo N14 O10 P4 S4 Y
SMILES	[Y]12(ON(=[O]1)=O)(ON(=[O]2)=O)([O]=P(N(C)C)(N(C)C)N(C)C)([O]=P(N(C)C)(N(C)C)N(C)C)([O]=P(N(C)C)(N(C)C)N(C)C)[O]=P(N(C)C)(N(C)C)N(C)C.[Mo]1(S[Ag]2(S1)[S]=[Mo]1(S[Ag]S1)=[S]2)(=S)=S.[Y]12(ON(=[O]1)=O)(ON(=[O]2)=O)([O]=P(N(C)C)(N(C)C)N(C)C)([O]=P(N(C)C)(N(C)C)N(C)C)([O]=P(N(C)C)(N(C)C)N(C)C)[O]=P(N(C)C)(N(C)C)N(C)C
Title of publication	<i>catena</i>-Poly[[tetrakis(hexamethylphosphoramide-κ<i>O</i>)bis(nitrato-κ^2^<i>O</i>,<i>O</i>')yttrium(III)] [silver(I)-di-μ-sulfido-molybdenum(VI)-di-μ-sulfido]]
Authors of publication	Zhang, Jinfang
Journal of publication	Acta Crystallographica Section E
Year of publication	2011
Journal volume	67
Journal issue	9
Pages of publication	m1206 - m1207
a	15.777 ± 0.003 Å
b	29.65 ± 0.006 Å
c	11.339 ± 0.002 Å
α	90°
β	90.9 ± 0.03°
γ	90°
Cell volume	5303.6 ± 1.7 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	9
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	0.0534
Residual factor for significantly intense reflections	0.0447
Weighted residual factors for significantly intense reflections	0.087
Weighted residual factors for all reflections included in the refinement	0.0913
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181238 (current)	2016-04-03	hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/16.	2231665.cif 2231665.hkl
176798	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2231665.cif 2231665.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2231665.cif 2231665.hkl
88064	2013-08-29	Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet.	2231665.cif 2231665.hkl
27934	2011-10-07	hkl/ Ading Fonst files assigned to the recently deposited IUCr coordinates.	2231665.cif 2231665.hkl
27796	2011-10-07	../uploads/cif-deposit/cod/cif Adding structures of 2231665 via cif-deposit CGI script.	2231665.cif