Crystallography Open Database

Information card for entry 2241390

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Structure parameters

Chemical name	Bis(1,3-diaminopropane-κ^2^<i>N</i>,<i>N</i>')bis[2-(4-nitrophenyl)acetato-κ<i>O</i>]zinc(II)
Formula	C22 H32 N6 O8 Zn
Calculated formula	C22 H32 N6 O8 Zn
SMILES	c1c(ccc(CC(=O)O[Zn]23([NH2]CCC[NH2]2)([NH2]CCC[NH2]3)OC(=O)Cc2ccc(cc2)N(=O)=O)c1)N(=O)=O
Title of publication	Crystal structure of bis(1,3-diaminopropane-κ^2^<i>N</i>,<i>N</i>')bis[2-(4-nitrophenyl)acetato-κ<i>O</i>]zinc(II)
Authors of publication	Roberts, T. J.; Mehari, T. F.; Assefa, Z.; Hamby, T.; Sykora, R. E.
Journal of publication	Acta Crystallographica Section E
Year of publication	2015
Journal volume	71
Journal issue	12
Pages of publication	m240 - m241
a	14.3933 ± 0.0018 Å
b	11.0261 ± 0.0014 Å
c	8.2453 ± 0.0011 Å
α	90°
β	105.119 ± 0.013°
γ	90°
Cell volume	1263.3 ± 0.3 Å³
Cell temperature	180 ± 0.1 K
Ambient diffraction temperature	180 ± 0.1 K
Number of distinct elements	5
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	0.0454
Residual factor for significantly intense reflections	0.034
Weighted residual factors for significantly intense reflections	0.0691
Weighted residual factors for all reflections included in the refinement	0.0752
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
181914 (current)	2016-04-06	hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/13.	2241390.cif 2241390.hkl
171472	2015-12-13	cif/ hkl/ Adding structures of 2241390 via cif-deposit CGI script.	2241390.cif 2241390.hkl