Crystallography Open Database

Information card for entry 2007326

2007325 << 2007326 >> 2007327

Preview

Coordinates	2007326.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Chloro(1,4,8,12- tetraazacyclopentadecane-N,N',N'',N''')zinc(II) Perchlorate
Formula	C11 H26 Cl2 N4 O4 Zn
Calculated formula	C11 H26 Cl2 N4 O4 Zn
SMILES	[Zn]123(Cl)[NH]4CCC[NH]1CCC[NH]2CCC[NH]3CC4.Cl(=O)(=O)(=O)[O-]
Title of publication	Chloro(1,4,8,12-tetraazacyclopentadecane-κ^4^<i>N</i>)zinc(II) Perchlorate
Authors of publication	Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Chi, Ta-Yung; Pariya, Chandi; Liao, Fen-Ling; Chung, Chung-Sun
Journal of publication	Acta Crystallographica Section C
Year of publication	1998
Journal volume	54
Journal issue	6
Pages of publication	712 - 714
a	9.8504 ± 0.0007 Å
b	15.1177 ± 0.001 Å
c	11.9574 ± 0.0008 Å
α	90°
β	95.831 ± 0.001°
γ	90°
Cell volume	1771.4 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.115
Residual factor for significantly intense reflections	0.063
Weighted residual factors for all reflections	0.131
Weighted residual factors for significantly intense reflections	0.112
Goodness-of-fit parameter for all reflections	1.083
Goodness-of-fit parameter for significantly intense reflections	1.182
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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