Crystallography Open Database

Information card for entry 2232933

Preview

Coordinates	2232933.cif
Structure factors	2232933.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>')holmium(III)] [silver(I)-di-μ-sulfido-tungstate(VI)-di-μ-sulfido]]
Formula	C24 H72 Ag Ho N14 O10 P4 S4 W
Calculated formula	C24 H72 Ag Ho N14 O10 P4 S4 W
SMILES	[Ho]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.[Ho]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>')holmium(III)] [silver(I)-di-μ-sulfido-tungstate(VI)-di-μ-sulfido]]
Authors of publication	Zeng, Juxiang; Tang, Guodong; Wei, Changmei
Journal of publication	Acta Crystallographica Section E
Year of publication	2011
Journal volume	67
Journal issue	12
Pages of publication	m1724 - m1725
a	15.767 ± 0.003 Å
b	29.616 ± 0.006 Å
c	11.383 ± 0.002 Å
α	90°
β	90.88 ± 0.03°
γ	90°
Cell volume	5314.7 ± 1.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0342
Residual factor for significantly intense reflections	0.0309
Weighted residual factors for significantly intense reflections	0.0697
Weighted residual factors for all reflections included in the refinement	0.0725
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
181251 (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 2/23/29.	2232933.cif 2232933.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.	2232933.cif 2232933.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2232933.cif 2232933.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.	2232933.cif 2232933.hkl
31968	2012-01-03	hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures.	2232933.cif 2232933.hkl
31819	2012-01-02	../uploads/cif-deposit/cod/cif Adding structures of 2232933 via cif-deposit CGI script.	2232933.cif