Crystallography Open Database

Information card for entry 2019025

2019024 << 2019025 >> 2019026

Preview

Coordinates	2019025.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	1,4-Bis{[hydroxy(phenyl)phosphoryl]methyl}piperazine-1,4-diium tetrachloridocadmate(II) dihydrate
Formula	C18 H30 Cd Cl4 N2 O6 P2
Calculated formula	C18 H30 Cd Cl4 N2 O6 P2
SMILES	c1(ccccc1)P(=O)(O)C[NH+]1CC[NH+](CP(=O)(c2ccccc2)O)CC1.[Cd](Cl)(Cl)([Cl-])[Cl-].O.O
Title of publication	1,4-Bis{[hydroxy(phenyl)phosphoryl]methyl}piperazine-1,4-diium tetrachloridocadmate(II) dihydrate and the cobaltate(II) analogue
Authors of publication	Du, Chao-Jun; Wang, Li-Sheng
Journal of publication	Acta Crystallographica Section C
Year of publication	2013
Journal volume	69
Journal issue	7
Pages of publication	738 - 741
a	6.6159 ± 0.0003 Å
b	14.5242 ± 0.0007 Å
c	14.5449 ± 0.0007 Å
α	87.035 ± 0.004°
β	81.713 ± 0.004°
γ	76.947 ± 0.004°
Cell volume	1347.03 ± 0.11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0455
Residual factor for significantly intense reflections	0.0318
Weighted residual factors for significantly intense reflections	0.0653
Weighted residual factors for all reflections included in the refinement	0.069
Goodness-of-fit parameter for all reflections included in the refinement	1.006
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176760 (current)	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01.	2019025.cif
87388	2013-08-27	cif/ Adding structures of 2019025, 2019026 via cif-deposit CGI script.	2019025.cif