Crystallography Open Database

Information card for entry 1544058

Preview

Coordinates	1544058.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H40 Cd3 Cl2 N10 O16
Calculated formula	C54 H40 Cd3 Cl2 N10 O16
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	14.3047 ± 0.001 Å
b	9.6601 ± 0.0004 Å
c	22.0345 ± 0.0015 Å
α	90°
β	94.006 ± 0.007°
γ	90°
Cell volume	3037.4 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.1175
Residual factor for significantly intense reflections	0.0719
Weighted residual factors for significantly intense reflections	0.2121
Weighted residual factors for all reflections included in the refinement	0.2603
Goodness-of-fit parameter for all reflections included in the refinement	0.988
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
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.	1544058.cif
186297	2016-09-08	cif/ Adding structures of 1544058 via cif-deposit CGI script.	1544058.cif