Crystallography Open Database

Information card for entry 1513029

Preview

Coordinates	1513029.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	catena-((μ~2~-Biphenyl-2,2'-dicarboxylato)-(μ~2~-3,3',5,5'-tetramethyl- 4,4'-bipyrazole)-zinc(ii) hemihydrate)
Formula	C24 H23.21 N4 O4.61 Zn
Calculated formula	C24 H23.21 N4 O4.605 Zn
Title of publication	Synthesis and structure of coordination polymers of Mn2+, Cu2+, Ag+, Zn2+ and Cd2+ by combination of bipyrazole and diphenate ligands
Authors of publication	Jens Hunger
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	397
Pages of publication	60 - 68
a	11.1779 ± 0.0009 Å
b	13.3676 ± 0.0014 Å
c	16.3999 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	2450.5 ± 0.4 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.033
Residual factor for significantly intense reflections	0.0243
Weighted residual factors for significantly intense reflections	0.0419
Weighted residual factors for all reflections included in the refinement	0.0425
Goodness-of-fit parameter for all reflections included in the refinement	0.903
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1513029.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1513029.cif
91355	2013-12-12	cif/ Adding structures of 1513029 via cif-deposit CGI script.	1513029.cif