Crystallography Open Database

Information card for entry 7203322

7203321 << 7203322 >> 7203323

Preview

Coordinates	7203322.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H10 Cl6 N2 Pd
Calculated formula	C10 H10 Cl6 N2 Pd
SMILES	c1(Cl)cc[nH+]cc1.[Pd](Cl)(Cl)([Cl-])[Cl-].c1cc(cc[nH+]1)Cl
Title of publication	Unexpected structural homologies involving hydrogen-bonded and halogen-bonded networks in halopyridinium halometallate salts
Authors of publication	Fiorenzo Zordan; Guillermo Mínguez Espallargas; Lee Brammer
Journal of publication	CrystEngComm
Year of publication	2006
Journal volume	8
Journal issue	5
Pages of publication	425
a	6.9605 ± 0.0014 Å
b	7.3662 ± 0.0015 Å
c	8.6496 ± 0.0017 Å
α	113.41 ± 0.03°
β	91.97 ± 0.03°
γ	98.06 ± 0.03°
Cell volume	400.98 ± 0.17 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0537
Residual factor for significantly intense reflections	0.0512
Weighted residual factors for significantly intense reflections	0.1497
Weighted residual factors for all reflections included in the refinement	0.1518
Goodness-of-fit parameter for all reflections included in the refinement	1.163
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
180364 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/33.	7203322.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7203322.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7203322.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7203322.cif