Crystallography Open Database

Information card for entry 8103122

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Coordinates	8103122.cif

Structure parameters

Chemical name	Bis(2,2'-bipyridine-N,N')-(nitrato-O)-zinc(ii) nitrate monohydrate
Formula	C20 H18 N6 O7 Zn
Calculated formula	C20 H18 N6 O7 Zn
SMILES	[Zn]12(ON(=O)=O)([n]3ccccc3c3[n]1cccc3)[n]1c(c3[n]2cccc3)cccc1.O=N(=O)[O-].O
Title of publication	Crystal structure of bis(2,2'-bipyridine-N,N')-(nitrato-O)zinc(II) nitrate monohydrate, [Zn(C10H8N2)(NO3)][NO3] · H2O
Authors of publication	Lianwen Zhou
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2011
Journal volume	226
Journal issue	1
Pages of publication	27
a	7.472 ± 0.005 Å
b	9.992 ± 0.008 Å
c	15.012 ± 0.015 Å
α	73.974 ± 0.013°
β	88.431 ± 0.014°
γ	90.023 ± 0.009°
Cell volume	1076.8 ± 1.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0651
Residual factor for significantly intense reflections	0.0522
Weighted residual factors for significantly intense reflections	0.1456
Weighted residual factors for all reflections included in the refinement	0.1561
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
176728 (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 8.	8103122.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103122.cif
29072	2011-11-02	../uploads/cif-deposit/cod/cif Adding structures of 8103122 via cif-deposit CGI script.	8103122.cif