Crystallography Open Database

Information card for entry 4320610

4320609 << 4320610 >> 4320611

Preview

Coordinates	4320610.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H20 Cl2 N4 O4 Pd
Calculated formula	C14 H20 Cl2 N4 O4 Pd
SMILES	Cl[Pd](Cl)([n]1cc(ccc1)C(=O)NC)[n]1cc(ccc1)C(=O)NC.O.O
Title of publication	Self-Assembly of Polymer and Sheet Structures from Palladium(II) Complexes by Hydrogen Bonding between Carboxamide Substituents
Authors of publication	Zengquan Qin; Michael C. Jennings; Richard J. Puddephatt
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	6220 - 6228
a	4.0558 ± 0.0003 Å
b	10.1814 ± 0.0008 Å
c	21.7453 ± 0.0014 Å
α	90°
β	93.832 ± 0.004°
γ	90°
Cell volume	895.94 ± 0.11 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.0655
Residual factor for significantly intense reflections	0.0362
Weighted residual factors for significantly intense reflections	0.0752
Weighted residual factors for all reflections included in the refinement	0.0824
Goodness-of-fit parameter for all reflections included in the refinement	0.925
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
179309 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/06.	4320610.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4320610.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4320610.cif
17806	2011-04-09	../uploads/cif-deposit/cod/cif Adding structures of 4320610 via cif-deposit CGI script.	4320610.cif