Crystallography Open Database

Information card for entry 4509358

Preview

Coordinates	4509358.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	catena-((μ~3~-benzene-1,3-dicarboxylato)-(μ~2~-3,3',5,5'-tetramethyl- 4,4'-bipyrazole)-cadmium(ii) monohydrate)
Formula	C18 H20 Cd N4 O5
Calculated formula	C18 H20 Cd N4 O5
Title of publication	Hydrothermal Synthesis and Structure of Coordination Polymers by Combination of Bipyrazole and Aromatic Dicarboxylate Ligands
Authors of publication	Hunger, Jens; Krautscheid, Harald; Sieler, Joachim
Journal of publication	Crystal Growth & Design
Year of publication	2009
Journal volume	9
Journal issue	11
Pages of publication	4613
a	9.6017 ± 0.0004 Å
b	10.2022 ± 0.0004 Å
c	19.991 ± 0.001 Å
α	90°
β	98.785 ± 0.004°
γ	90°
Cell volume	1935.31 ± 0.15 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	5
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	0.0223
Residual factor for significantly intense reflections	0.0184
Weighted residual factors for significantly intense reflections	0.0676
Weighted residual factors for all reflections included in the refinement	0.0686
Goodness-of-fit parameter for all reflections included in the refinement	1.177
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
179629 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/93.	4509358.cif
97236	2014-01-29	cif/ Adding structures of 4509353, 4509354, 4509355, 4509356, 4509357, 4509358, 4509359, 4509360, 4509361 via cif-deposit CGI script.	4509358.cif