Crystallography Open Database

Information card for entry 2238815

Preview

Coordinates	2238815.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis[(dimethylphosphoryl)methanaminium] tetrachloridopalladate(II)
Formula	C6 H22 Cl4 N2 O2 P2 Pd
Calculated formula	C6 H22 Cl4 N2 O2 P2 Pd
SMILES	[NH3+]CP(=O)(C)C.Cl[Pd](Cl)([Cl-])[Cl-].CP(=O)(C)C[NH3+]
Title of publication	Bis[(dimethylphosphoryl)methanaminium] tetrachloridopalladate(II)
Authors of publication	Reiss, Guido J.
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	11
Pages of publication	m614 - m615
a	9.36 ± 0.0003 Å
b	7.81198 ± 0.00019 Å
c	11.9892 ± 0.0003 Å
α	90°
β	110.11 ± 0.003°
γ	90°
Cell volume	823.21 ± 0.04 Å³
Cell temperature	290 ± 2 K
Ambient diffraction temperature	290 ± 2 K
Number of distinct elements	7
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	0.0302
Residual factor for significantly intense reflections	0.0223
Weighted residual factors for significantly intense reflections	0.0479
Weighted residual factors for all reflections included in the refinement	0.0509
Goodness-of-fit parameter for all reflections included in the refinement	1.089
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
176798 (current)	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2238815.cif
91234	2013-12-09	cif/ Adding structures of 2238815 via cif-deposit CGI script.	2238815.cif