Crystallography Open Database

Information card for entry 2229249

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Structure parameters

Chemical name	Dibromido{2-morpholino-<i>N</i>-[1-(2-pyridyl)ethylidene]ethanamine- κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}zinc(II)
Formula	C13 H19 Br2 N3 O Zn
Calculated formula	C13 H19 Br2 N3 O Zn
SMILES	[Zn]12(Br)(Br)[n]3c(cccc3)C(=[N]1CC[N]12CCOCC1)C
Title of publication	Dibromido{2-morpholino-<i>N</i>-[1-(2-pyridyl)ethylidene]ethanamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}zinc(II)
Authors of publication	Ding, Yan-Wei; Wang, Xiao-Ling; Ni, Li-Li
Journal of publication	Acta Crystallographica Section E
Year of publication	2011
Journal volume	67
Journal issue	2
Pages of publication	m261
a	9.831 ± 0.004 Å
b	13.985 ± 0.006 Å
c	12.183 ± 0.005 Å
α	90°
β	106.626 ± 0.004°
γ	90°
Cell volume	1605 ± 1.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1127
Residual factor for significantly intense reflections	0.0647
Weighted residual factors for significantly intense reflections	0.1553
Weighted residual factors for all reflections included in the refinement	0.1769
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181213 (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 2/22/92.	2229249.cif 2229249.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.	2229249.cif 2229249.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2229249.cif 2229249.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.	2229249.cif 2229249.hkl
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2229249.cif 2229249.hkl
14261	2011-03-09	Adding the Fobs data for the recenty deposited IUCr structrures.	2229249.cif 2229249.hkl
12340	2011-03-05	../uploads/cif-deposit/cod/cif Adding structures of 2229249 via cif-deposit CGI script.	2229249.cif