Crystallography Open Database

Information card for entry 4504552

Preview

Coordinates	4504552.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+]1ccc(cc1)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	7.091 ± 0.003 Å
b	8.158 ± 0.004 Å
c	13.722 ± 0.007 Å
α	102.422 ± 0.008°
β	95.689 ± 0.009°
γ	106.505 ± 0.009°
Cell volume	732.3 ± 0.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1008
Residual factor for significantly intense reflections	0.0627
Weighted residual factors for significantly intense reflections	0.1717
Weighted residual factors for all reflections included in the refinement	0.2403
Goodness-of-fit parameter for all reflections included in the refinement	1.13
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.	4504552.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504552.cif
47408	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4504552 via cif-deposit CGI script.	4504552.cif