Crystallography Open Database

Information card for entry 1544057

Preview

Coordinates	1544057.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H20 N6 O12 Pb2
Calculated formula	C22 H20 N6 O12 Pb2
SMILES	[Pb]12(OC3C(=[O]2)O[Pb]2([O]=3)[n]3ccccc3c3[n]2cccc3)[n]2c(cccc2)c2[n]1cccc2.O=N(=O)[O-].O.O=N(=O)[O-].O
Title of publication	Oxalato-bridged oligonuclear complexes of cadmium(II)/lead(II) with bipyridine coligands: Synthesis, crystal structure, electronic spectra, density functional theory calculation and effect of organic compounds on the fluorescence property
Authors of publication	Apurba Bhunia; Ennio Zangrando; Soumen Mistri; Subal Chandra Manna
Journal of publication	Inorganica Chimica Acta
Year of publication	2014
Pages of publication	528 - 537
a	9.5444 ± 0.0001 Å
b	20.5956 ± 0.0003 Å
c	6.7449 ± 0.0001 Å
α	90°
β	91.819 ± 0.001°
γ	90°
Cell volume	1325.19 ± 0.03 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0337
Residual factor for significantly intense reflections	0.0298
Weighted residual factors for significantly intense reflections	0.0698
Weighted residual factors for all reflections included in the refinement	0.0718
Goodness-of-fit parameter for all reflections included in the refinement	1.13
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
211137 (current)	2018-09-24	cif/ Removing DOI prefixes from 127 CIF files using cif_fix_values r6433.	1544057.cif
186296	2016-09-08	cif/ Adding structures of 1544057 via cif-deposit CGI script.	1544057.cif