Crystallography Open Database

Information card for entry 7223808

Preview

Coordinates	7223808.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H80 F2 N4 O6 Pd
Calculated formula	C48 H80 F2 N4 O6 Pd
SMILES	C1(=O)C(=O)N(c2ccc(cc2)F)[Pd]2(N(C(=O)C(=O)O2)c2ccc(cc2)F)O1.C([N+](CCCC)(CCCC)CCCC)CCC.C([N+](CCCC)(CCCC)CCCC)CCC
Title of publication	Intermolecular interactions in dictating the self-assembly of halogen derivatives of bis-(N-substituted oxamato)palladate(II) complexes
Authors of publication	Fortea-Pérez, Francisco Ramón; Marino, Nadia; De Munno, G.; Armentano, Donatella; Julve, Miguel; Stiriba, Salah-Eddine
Journal of publication	RSC Adv.
Year of publication	2016
a	9.6448 ± 0.0007 Å
b	16.3141 ± 0.0012 Å
c	16.9067 ± 0.0013 Å
α	90°
β	92.808 ± 0.003°
γ	90°
Cell volume	2657 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0422
Residual factor for significantly intense reflections	0.0294
Weighted residual factors for significantly intense reflections	0.0855
Weighted residual factors for all reflections included in the refinement	0.1008
Goodness-of-fit parameter for all reflections included in the refinement	1.093
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
173683 (current)	2016-01-08	cif/ Adding structures of 7223808, 7223809, 7223810 via cif-deposit CGI script.	7223808.cif