Crystallography Open Database

Information card for entry 2018776

2018775 << 2018776 >> 2018777

Preview

Coordinates	2018776.cif
Structure factors	2018776.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>catena</i>-poly[[bis[nitratosilver(I)]- bis{μ~3~-5-[(3a<i>S</i>,4<i>S</i>,6a<i>R</i>)-2-oxohexahydro-1<i>H</i>- thieno[3,4-<i>d</i>]imidazol-4-yl]pentanoato}] monohydrate]
Formula	C20 H34 Ag2 N6 O13 S2
Calculated formula	C20 H34 Ag2 N6 O13 S2
SMILES	[Ag]12(ON(=[O]1)=O)([S]1[C@@H](CCCCC(=O)O)[C@H]3NC(=O)N[C@H]3C1)[S]1([C@@H](CCCCC(=O)O)[C@H]3NC(=O)N[C@H]3C1)[Ag]1(ON(=O)=O)[S]3([C@@H](CCCCC(=O)O)[C@H]4NC(=[O]2)N[C@H]4C3)[Ag]2(ON(=[O]2)=O)[S]2([Ag]ON(=O)=O)[C@@H](CCCCC(=O)O)[C@H]3NC(=[O]1)N[C@H]3C2.O.O
Title of publication	Chiral one- and two-dimensional silver(I)‒biotin coordination polymers
Authors of publication	Altaf, Muhammad; Stoeckli-Evans, Helen
Journal of publication	Acta Crystallographica Section C
Year of publication	2013
Journal volume	69
Journal issue	2
Pages of publication	127 - 137
a	21.8568 ± 0.0012 Å
b	8.0321 ± 0.0004 Å
c	16.8886 ± 0.0009 Å
α	90°
β	99.337 ± 0.004°
γ	90°
Cell volume	2925.6 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0221
Residual factor for significantly intense reflections	0.0187
Weighted residual factors for significantly intense reflections	0.0401
Weighted residual factors for all reflections included in the refinement	0.0408
Goodness-of-fit parameter for all reflections included in the refinement	0.973
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
180856 (current)	2016-04-02	cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/87.	2018776.cif 2018776.hkl
176760	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01.	2018776.cif 2018776.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.	2018776.cif 2018776.hkl
75609	2013-03-10	hkl/ (saulius@koala.ibt.lt) Adding newly assigned range 2 Fobs files.	2018776.cif 2018776.hkl
75303	2013-03-09	cif/ Adding structures of 2018774, 2018775, 2018776, 2018777, 2018778 via cif-deposit CGI script.	2018776.cif