Crystallography Open Database

Information card for entry 2226794

Preview

Coordinates	2226794.cif
Structure factors	2226794.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>catena</i>-Poly[[μ~3~-hydroxido-tetra-μ~2~-pyridazine- 1:2κ^4^<i>N</i>:<i>N</i>';1:3κ^2^<i>N</i>:<i>N</i>'; 2:3κ^2^<i>N</i>:<i>N</i>'-tetrakis(selenocyanato)- 1κ<i>N</i>,2κ<i>N</i>,3κ^2^<i>N</i>- trizinc(II)]-μ-cyanido-1:2'κ^2^<i>C</i>:<i>N</i>]
Formula	C21 H17 N13 O Se4 Zn3
Calculated formula	C21 H17 N13 O Se4 Zn3
Title of publication	<i>catena</i>-Poly[[μ~3~-hydroxido-tetra-μ~2~-pyridazine-1:2κ^4^<i>N</i>:<i>N</i>';1:3κ^2^<i>N</i>:<i>N</i>';2:3κ^2^<i>N</i>:<i>N</i>'-tetrakis(selenocyanato)-1κ<i>N</i>,2κ<i>N</i>,3κ^2^<i>N</i>-trizinc(II)]-μ-cyanido-1:2'κ^2^<i>C</i>:<i>N</i>]
Authors of publication	Reinert, Thorben; Boeckmann, Jan; Jess, Inke; Näther, Christian
Journal of publication	Acta Crystallographica Section E
Year of publication	2010
Journal volume	66
Journal issue	8
Pages of publication	m1018 - m1019
a	15.6156 ± 0.0012 Å
b	22.6489 ± 0.0016 Å
c	8.6626 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	3063.8 ± 0.4 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	6
Space group number	40
Hermann-Mauguin space group symbol	A m a 2
Hall space group symbol	A 2 -2a
Residual factor for all reflections	0.0258
Residual factor for significantly intense reflections	0.0239
Weighted residual factors for significantly intense reflections	0.0572
Weighted residual factors for all reflections included in the refinement	0.0581
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
181188 (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 2/22/67.	2226794.cif 2226794.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.	2226794.cif 2226794.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2226794.cif 2226794.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.	2226794.cif 2226794.hkl
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2226794.cif 2226794.hkl
1704	2010-11-03	hkl/2/ Adding Fobs files for the recently deposited IUCr data.	2226794.cif 2226794.hkl
1553	2010-10-08	cif/2/ Adding data from Acta-Cryst-E-2010_08/.	2226794.cif