Crystallography Open Database

Information card for entry 7216172

Preview

Coordinates	7216172.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H22 N2 Na2 O8 Pd
Calculated formula	C20 H22 N2 Na2 O8 Pd
SMILES	C1(C(=O)N(c2c(C)cccc2C)[Pd]2(O1)N(C(=O)C(O2)=O)c1c(cccc1C)C)=O.[Na+].[Na+].O.O
Title of publication	Solid-state cis‒trans isomerism in bis(oxamato)palladate(ii) complexes: synthesis, structural studies and catalytic activity
Authors of publication	Fortea-Pérez, Francisco R.; Marino, Nadia; Armentano, Donatella; De Munno, Giovanni; Julve, Miguel; Stiriba, Salah-Eddine
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	30
Pages of publication	6971
a	12.889 ± 0.002 Å
b	14.4316 ± 0.0018 Å
c	13.6143 ± 0.0019 Å
α	90°
β	105.888 ± 0.01°
γ	90°
Cell volume	2435.6 ± 0.6 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	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0189
Residual factor for significantly intense reflections	0.0164
Weighted residual factors for significantly intense reflections	0.0537
Weighted residual factors for all reflections included in the refinement	0.0697
Goodness-of-fit parameter for all reflections included in the refinement	1.332
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
180492 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/61.	7216172.cif
121580	2014-08-08	cif/ Updating files of 7216172, 7216173, 7216174, 7216175, 7216176 Original log message: Adding full bibliography for 7216172--7216176.cif.	7216172.cif
114585	2014-05-28	cif/ Adding structures of 7216172, 7216173, 7216174, 7216175, 7216176 via cif-deposit CGI script.	7216172.cif