Crystallography Open Database

Information card for entry 2241624

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Structure parameters

Chemical name	<i>trans</i>-2,5-Dimethylpiperazine-1,4-diium bis(perchlorate) dihydrate
Formula	C6 H20 Cl2 N2 O10
Calculated formula	C6 H20 Cl2 N2 O10
SMILES	C1[NH2+][C@@H](C)C[NH2+][C@@H]1C.[O-]Cl(=O)(=O)=O.O.[O-]Cl(=O)(=O)=O.O
Title of publication	<i>trans</i>-2,5-Dimethylpiperazine-1,4-diium bis(perchlorate) dihydrate: crystal structure and Hirshfeld surface analysis
Authors of publication	Ben Mleh, Cherifa; Roisnel, Thierry; Marouani, Houda
Journal of publication	Acta Crystallographica Section E
Year of publication	2016
Journal volume	72
Journal issue	4
Pages of publication	593 - 596
a	16.8603 ± 0.0008 Å
b	7.2655 ± 0.0003 Å
c	14.4534 ± 0.0006 Å
α	90°
β	128.751 ± 0.001°
γ	90°
Cell volume	1380.78 ± 0.11 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0302
Residual factor for significantly intense reflections	0.0279
Weighted residual factors for significantly intense reflections	0.073
Weighted residual factors for all reflections included in the refinement	0.0744
Goodness-of-fit parameter for all reflections included in the refinement	1.125
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
181917 (current)	2016-04-06	hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/16.	2241624.cif 2241624.hkl
180666	2016-04-01	cif/ hkl/ Adding structures of 2241624 via cif-deposit CGI script.	2241624.cif 2241624.hkl