Crystallography Open Database

Information card for entry 2232044

2232043 << 2232044 >> 2232045

Preview

Coordinates	2232044.cif
Structure factors	2232044.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>')samarium(III)] [silver(I)-di-μ-sulfido-tungstate(VI)-di-μ-sulfido]]
Formula	C24 H72 Ag N14 O10 P4 S4 Sm W
Calculated formula	C24 H72 Ag N14 O10 P4 S4 Sm W
SMILES	[Sm]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.[W]1(S[Ag]2(S1)[S]=[W]1(S[Ag]S1)=[S]2)(=S)=S.[Sm]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>')samarium(III)] [silver(I)-di-μ-sulfido-tungstate(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	10
Pages of publication	m1365
a	15.817 ± 0.003 Å
b	29.768 ± 0.006 Å
c	11.372 ± 0.002 Å
α	90°
β	91.03 ± 0.03°
γ	90°
Cell volume	5353.5 ± 1.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0347
Residual factor for significantly intense reflections	0.0314
Weighted residual factors for significantly intense reflections	0.0743
Weighted residual factors for all reflections included in the refinement	0.0775
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
181242 (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 2/23/20.	2232044.cif 2232044.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.	2232044.cif 2232044.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2232044.cif 2232044.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.	2232044.cif 2232044.hkl
29951	2011-11-08	hkl/ Adding the most recent Fobs data from the IUCr journals.	2232044.cif 2232044.hkl
29333	2011-11-02	../uploads/cif-deposit/cod/cif Adding structures of 2232044 via cif-deposit CGI script.	2232044.cif