Crystallography Open Database

Information card for entry 7032579

Preview

Coordinates	7032579.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H9 N3
Calculated formula	C12 H9 N3
SMILES	n1ccccc1n1ncc2ccccc12
Title of publication	Discrete and polymeric Cu(ii) complexes featuring substituted indazole ligands: their synthesis and structural chemistry.
Authors of publication	Hawes, Chris S.; Kruger, Paul E.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	43
Pages of publication	16450 - 16458
a	5.002 ± 0.0006 Å
b	13.078 ± 0.002 Å
c	14.257 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	932.6 ± 0.2 Å³
Cell temperature	120 ± 1 K
Ambient diffraction temperature	120 ± 1 K
Number of distinct elements	3
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	0.036
Residual factor for significantly intense reflections	0.0335
Weighted residual factors for significantly intense reflections	0.0877
Weighted residual factors for all reflections included in the refinement	0.0894
Goodness-of-fit parameter for all reflections included in the refinement	1.123
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180031 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/25.	7032579.cif
126451	2014-11-06	cif/ Updating files of 7032579, 7032580, 7032581, 7032582, 7032583, 7032584, 7032585 Original log message: Adding full bibliography for 7032579--7032585.cif.	7032579.cif
123907	2014-09-17	cif/ Adding structures of 7032579, 7032580, 7032581, 7032582, 7032583, 7032584, 7032585 via cif-deposit CGI script.	7032579.cif