Crystallography Open Database

Information card for entry 2018778

2018777 << 2018778 >> 2018779

Preview

Coordinates	2018778.cif
Structure factors	2018778.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>catena</i>-poly[[[{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}silver(I)]-μ~2~-{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}] hexafluoridoantimonate]
Formula	C20 H32 Ag F6 N4 O6 S2 Sb
Calculated formula	C20 H32 Ag F6 N4 O6 S2 Sb
SMILES	[Ag]([S]1[C@@H](CCCCC(=O)O)[C@H]2NC(=O)N[C@H]2C1)([S]1[C@@H](CCCCC(=O)O)[C@H]2NC(=O)N[C@H]2C1)[O]=C(O)CCCC[C@@H]1[S]([Ag][S]2[C@@H](CCCCC(=O)O)[C@H]3NC(=O)N[C@H]3C2)C[C@@H]2NC(=O)N[C@H]12.[Sb](F)(F)(F)(F)(F)[F-].[Sb](F)(F)(F)(F)(F)[F-]
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	9.6902 ± 0.0011 Å
b	14.6452 ± 0.0012 Å
c	9.8604 ± 0.0012 Å
α	90°
β	91.167 ± 0.01°
γ	90°
Cell volume	1399 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0281
Residual factor for significantly intense reflections	0.0261
Weighted residual factors for significantly intense reflections	0.0637
Weighted residual factors for all reflections included in the refinement	0.0642
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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.	2018778.cif 2018778.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.	2018778.cif 2018778.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.	2018778.cif 2018778.hkl
75609	2013-03-10	hkl/ (saulius@koala.ibt.lt) Adding newly assigned range 2 Fobs files.	2018778.cif 2018778.hkl
75303	2013-03-09	cif/ Adding structures of 2018774, 2018775, 2018776, 2018777, 2018778 via cif-deposit CGI script.	2018778.cif