Crystallography Open Database

Information card for entry 2227288

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Structure parameters

Chemical name	μ-Actetato-1:2κ^2^<i>O</i>:<i>O</i>'-tribromido-2κ^3^<i>Br</i>- (5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradeca-1,7-diene- 1κ^4^<i>N</i>)dizinc(II)
Formula	C18 H35 Br3 N4 O2 Zn2
Calculated formula	C18 H35 Br3 N4 O2 Zn2
SMILES	[Zn]123([NH]4C(CC(=[N]1CC[NH]2C(CC(=[N]3CC4)C)(C)C)C)(C)C)[O]=C(O[Zn](Br)(Br)Br)C
Title of publication	μ-Actetato-1:2κ^2^<i>O</i>:<i>O</i>'-tribromido-2κ^3^<i>Br</i>-(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradeca-1,7-diene-1κ^4^<i>N</i>)dizinc(II)
Authors of publication	Li, HuaFeng; Shi, FeiFei; Rong, Rong
Journal of publication	Acta Crystallographica Section E
Year of publication	2010
Journal volume	66
Journal issue	10
Pages of publication	m1338
a	10.2964 ± 0.0008 Å
b	13.6985 ± 0.0013 Å
c	18.5235 ± 0.0018 Å
α	90°
β	92.28 ± 0.001°
γ	90°
Cell volume	2610.6 ± 0.4 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	0.0683
Residual factor for significantly intense reflections	0.0324
Weighted residual factors for significantly intense reflections	0.061
Weighted residual factors for all reflections included in the refinement	0.0667
Goodness-of-fit parameter for all reflections included in the refinement	0.878
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
181193 (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 2/22/72.	2227288.cif 2227288.hkl
176432	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	2227288.cif 2227288.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2227288.cif 2227288.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.	2227288.cif 2227288.hkl
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2227288.cif 2227288.hkl
5269	2010-12-22	hkl/ Adding Fobs data for the recent IUCr-published structres.	2227288.cif 2227288.hkl
4325	2010-12-17	../uploads/cif-deposit/cod/cif Adding structures of 2227288 via cif-deposit CGI script.	2227288.cif