Crystallography Open Database

Information card for entry 2237221

Preview

Coordinates	2237221.cif
Structure factors	2237221.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>')erbium(III)] [silver(I)-di-μ-sulfido-tungstate(VI)-di-μ-sulfido]]
Formula	C24 H72 Ag Er N14 O10 P4 S4 W
Calculated formula	C24 H72 Ag Er N14 O10 P4 S4 W
SMILES	[Er]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.[Er]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>')erbium(III)] [silver(I)-di-μ-sulfido-tungstate(VI)-di-μ-sulfido]]
Authors of publication	Wei, Hongyang; Zhang, Jinfang; Zhang, Chi
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	1
Pages of publication	m43 - m44
a	15.763 ± 0.003 Å
b	29.579 ± 0.006 Å
c	11.368 ± 0.002 Å
α	90°
β	90.83 ± 0.03°
γ	90°
Cell volume	5299.8 ± 1.7 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0527
Residual factor for significantly intense reflections	0.0465
Weighted residual factors for significantly intense reflections	0.0879
Weighted residual factors for all reflections included in the refinement	0.0922
Goodness-of-fit parameter for all reflections included in the refinement	1.083
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
181294 (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 2/23/72.	2237221.cif 2237221.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.	2237221.cif 2237221.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2237221.cif 2237221.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.	2237221.cif 2237221.hkl
75609	2013-03-10	hkl/ (saulius@koala.ibt.lt) Adding newly assigned range 2 Fobs files.	2237221.cif 2237221.hkl
73445	2013-02-20	cif/ Adding structures of 2237221 via cif-deposit CGI script.	2237221.cif