Crystallography Open Database

Information card for entry 2241632

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Structure parameters

Chemical name	1,4-Bis(3-ammoniopropyl)piperazine-1,4-diium bis[dichromate(VI)]
Formula	C10 H28 Cr4 N4 O14
Calculated formula	C10 H28 Cr4 N4 O14
SMILES	C1[NH+](CCC[NH3+])CC[NH+](C1)CCC[NH3+].[O-][Cr](=O)(=O)O[Cr](=O)(=O)[O-].[O-][Cr](=O)(=O)O[Cr](=O)(=O)[O-]
Title of publication	Crystal structure of 1,4-bis(3-ammoniopropyl)piperazine-1,4-diium bis[dichromate(VI)]
Authors of publication	Vetrivel, S.; Vinoth, E.; Mullai, R. U.; Aruljothi, R.; NizamMohideen, M.
Journal of publication	Acta Crystallographica Section E
Year of publication	2016
Journal volume	72
Journal issue	5
Pages of publication	616 - 619
a	8.5361 ± 0.0003 Å
b	8.6272 ± 0.0003 Å
c	8.8576 ± 0.0003 Å
α	77.761 ± 0.001°
β	72.307 ± 0.001°
γ	60.985 ± 0.001°
Cell volume	541.81 ± 0.03 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0238
Residual factor for significantly intense reflections	0.023
Weighted residual factors for significantly intense reflections	0.0675
Weighted residual factors for all reflections included in the refinement	0.0682
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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.	2241632.cif 2241632.hkl
181819	2016-04-06	cif/ hkl/ Adding structures of 2241632 via cif-deposit CGI script.	2241632.cif 2241632.hkl