Crystallography Open Database

Information card for entry 4504554

Preview

Coordinates	4504554.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H12 Cl4 N4 O Pd
Calculated formula	C11 H12 Cl4 N4 O Pd
SMILES	[Pd](Cl)(Cl)([Cl-])[Cl-].[nH+]1ccc(cc1)NC(=O)Nc1cc[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	17.171 ± 0.002 Å
b	7.8632 ± 0.001 Å
c	12.3623 ± 0.0016 Å
α	90°
β	109.443 ± 0.002°
γ	90°
Cell volume	1574 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0206
Residual factor for significantly intense reflections	0.0199
Weighted residual factors for significantly intense reflections	0.0557
Weighted residual factors for all reflections included in the refinement	0.0563
Goodness-of-fit parameter for all reflections included in the refinement	1.199
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.	4504554.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504554.cif
47410	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4504554 via cif-deposit CGI script.	4504554.cif