Crystallography Open Database

Information card for entry 2230691

Preview

Coordinates	2230691.cif
Structure factors	2230691.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>catena</i>-Poly[[aquabis(4,4'-bipyridine-κ<i>N</i>)zinc -μ-L-tyrosinato-κ^3^<i>N</i>,<i>O</i>^1^:<i>O</i>^1'^] nitrate dihydrate]
Formula	C29 H32 N6 O9 Zn
Calculated formula	C29 H32 N6 O9 Zn
SMILES	[Zn]1(OC(=O)[C@@H]([NH2]1)Cc1ccc(O)cc1)([OH2])([n]1ccc(cc1)c1ccncc1)([n]1ccc(cc1)c1ccncc1)[O]=C1O[Zn]([OH2])([NH2][C@H]1Cc1ccc(O)cc1)([n]1ccc(cc1)c1ccncc1)[n]1ccc(cc1)c1ccncc1.O=N(=O)[O-].O.O.O=N(=O)[O-].O.O
Title of publication	<i>catena</i>-Poly[[[aquabis(4,4'-bipyridine-κ<i>N</i>)zinc]-μ-<small>L</small>-tyrosinato-κ^3^<i>N</i>,<i>O</i>^1^:<i>O</i>^1'^] nitrate dihydrate]
Authors of publication	Li, Shu-Qiang; Hu, Ning-Hai
Journal of publication	Acta Crystallographica Section E
Year of publication	2011
Journal volume	67
Journal issue	7
Pages of publication	m884 - m885
a	12.737 ± 0.003 Å
b	10.351 ± 0.002 Å
c	12.921 ± 0.003 Å
α	90°
β	117.897 ± 0.005°
γ	90°
Cell volume	1505.5 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0928
Residual factor for significantly intense reflections	0.056
Weighted residual factors for significantly intense reflections	0.0775
Weighted residual factors for all reflections included in the refinement	0.0912
Goodness-of-fit parameter for all reflections included in the refinement	0.969
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
181228 (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 2/23/06.	2230691.cif 2230691.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.	2230691.cif 2230691.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2230691.cif 2230691.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.	2230691.cif 2230691.hkl
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2230691.cif 2230691.hkl
23417	2011-08-08	hkl/ Adding Fobs data for the recently deposited coordinates from IUCr.	2230691.cif 2230691.hkl
23006	2011-08-04	../uploads/cif-deposit/cod/cif Adding structures of 2230691 via cif-deposit CGI script.	2230691.cif