Crystallography Open Database

Information card for entry 2226676

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Structure parameters

Chemical name	{<i>N</i>,<i>N</i>'-Bis[1-(2-pyridyl)ethylidene]ethane-1,2-diamine- κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''}(thiocyanato- κ<i>N</i>)zinc(II) perchlorate
Formula	C17 H18 Cl N5 O4 S Zn
Calculated formula	C17 H18 Cl N5 O4 S Zn
Title of publication	{<i>N</i>,<i>N</i>'-Bis[1-(2-pyridyl)ethylidene]ethane-1,2-diamine-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''}(thiocyanato-κ<i>N</i>)zinc(II) perchlorate
Authors of publication	Wang, Fu-Ming
Journal of publication	Acta Crystallographica Section E
Year of publication	2010
Journal volume	66
Journal issue	7
Pages of publication	m778 - m779
a	8.685 ± 0.002 Å
b	13.963 ± 0.003 Å
c	17.374 ± 0.002 Å
α	90°
β	99.69 ± 0.003°
γ	90°
Cell volume	2076.9 ± 0.7 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	7
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	0.1121
Residual factor for significantly intense reflections	0.0555
Weighted residual factors for significantly intense reflections	0.1423
Weighted residual factors for all reflections included in the refinement	0.1696
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181187 (current)	2016-04-03	hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/66.	2226676.cif 2226676.hkl
176789	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22.	2226676.cif 2226676.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2226676.cif 2226676.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.	2226676.cif 2226676.hkl
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2226676.cif 2226676.hkl
1452	2010-10-08	hkl/ Adding Fobs data for the recent IUCr structure deposition. NB. This revision is recomitted anew after it appeared that in the original COD repository revision file '1452' was corrupt.	2226676.cif 2226676.hkl
1284	2010-08-08	cif/2/ Adding the processed IUCr 2010 June and July CIFs.	2226676.cif