Crystallography Open Database

Information card for entry 4504556

Preview

Coordinates	4504556.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H11 Cl4 N3 O Pd
Calculated formula	C11 H11 Cl4 N3 O Pd
SMILES	[Pd](Cl)(Cl)([Cl-])[Cl-].[nH+]1cccc(c1)NC(=O)c1cc[nH+]cc1
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	24.1657 ± 0.0015 Å
b	7.9739 ± 0.0005 Å
c	15.2874 ± 0.001 Å
α	90°
β	92.695 ± 0.001°
γ	90°
Cell volume	2942.5 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0375
Residual factor for significantly intense reflections	0.0339
Weighted residual factors for significantly intense reflections	0.087
Weighted residual factors for all reflections included in the refinement	0.0893
Goodness-of-fit parameter for all reflections included in the refinement	1.095
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
179580 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/45.	4504556.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504556.cif
47412	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4504556 via cif-deposit CGI script.	4504556.cif