Crystallography Open Database

Information card for entry 7226261

Preview

Coordinates	7226261.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H76 N16 O36 Pd2
Calculated formula	C64 H76 N16 O36 Pd2
SMILES	c1cc2cc[n]1[Pd]1([n]3c(cc(C[n+]4ccc(c5cc[n](cc5)[Pd]5([n]6c(cc(C[n+]7ccc2cc7)c2ccccc62)C)[NH2]CC[NH2]5)cc4)c2ccccc32)C)[NH2]CC[NH2]1.N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].c12cccc(c1cccc2OCCOCCO)OCCOCCO.O.O.O.O.O.O.N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].O.O.O.O.O.O
Title of publication	Guest-induced stereoselective self-assembly of quinoline-containing Pd(II) and Pt(II) metallacycles
Authors of publication	Blanco, Víctor; Abella, Dolores; Rama, Tamara; Alvariño, Cristina; García, Marcos D.; Peinador, Carlos; Quintela, José María
Journal of publication	RSC Adv.
Year of publication	2016
a	12.4048 ± 0.0012 Å
b	13.2527 ± 0.0013 Å
c	13.3614 ± 0.0013 Å
α	66.448 ± 0.002°
β	80.549 ± 0.002°
γ	83.081 ± 0.002°
Cell volume	1982.6 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.08
Residual factor for significantly intense reflections	0.0645
Weighted residual factors for significantly intense reflections	0.1827
Weighted residual factors for all reflections included in the refinement	0.1947
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
185825 (current)	2016-08-16	cif/ Adding structures of 7226258, 7226259, 7226260, 7226261, 7226262 via cif-deposit CGI script.	7226261.cif