Crystallography Open Database

Information card for entry 4504550

Preview

Coordinates	4504550.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H5 Cl2 N Pd0.5
Calculated formula	C6 H6 Cl2 N Pd0.5
Title of publication	N−H···Cl2−M Synthon as a Structure-Directing Tool: Crystal Structures of Some Perchlorometallates
Authors of publication	Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi
Journal of publication	Crystal Growth & Design
Year of publication	2006
Journal volume	6
Journal issue	1
Pages of publication	216
a	7.023 ± 0.004 Å
b	7.092 ± 0.004 Å
c	8.304 ± 0.005 Å
α	74.409 ± 0.011°
β	68.551 ± 0.01°
γ	76.846 ± 0.01°
Cell volume	366.9 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0543
Residual factor for significantly intense reflections	0.0472
Weighted residual factors for significantly intense reflections	0.1243
Weighted residual factors for all reflections included in the refinement	0.1469
Goodness-of-fit parameter for all reflections included in the refinement	1.168
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4504550.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504550.cif
47406	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4504550 via cif-deposit CGI script.	4504550.cif