Crystallography Open Database

Information card for entry 4348379

Preview

Coordinates	4348379.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H37 N3 O5 Pd
Calculated formula	C33 H37 N3 O5 Pd
SMILES	[Pd]123Oc4c(C[N]2(CC[N]3(Cc2c(O1)c(ccc2)c1c(O)cccc1)C)C)cccc4c1c(O)cccc1.O=CN(C)C
Title of publication	A Biphenol-Based Chemosensor for Zn(II) and Cd(II) Metal Ions: Synthesis, Potentiometric Studies, and Crystal Structures.
Authors of publication	Ambrosi, Gianluca; Formica, Mauro; Fusi, Vieri; Giorgi, Luca; Macedi, Eleonora; Micheloni, Mauro; Paoli, Paola; Rossi, Patrizia
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	15
Pages of publication	7676 - 7687
a	10.7317 ± 0.0006 Å
b	11.6234 ± 0.0005 Å
c	24.0265 ± 0.0013 Å
α	90°
β	102.803 ± 0.005°
γ	90°
Cell volume	2922.5 ± 0.3 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
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	0.0676
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.0899
Weighted residual factors for all reflections included in the refinement	0.1031
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
232894 (current)	2019-11-23	cif/ Adding structures of 4348375, 4348376, 4348377, 4348378, 4348379 via cif-deposit CGI script.	4348379.cif