Crystallography Open Database

Information card for entry 1563989

Preview

Coordinates	1563989.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H52 N2 O8 Zn2
Calculated formula	C70 H52 N2 O8 Zn2
Title of publication	Treatment of cadmium(II) and zinc(II) with N2-donor linkages in presence of β-diketone ligand; supported by structural, spectral, theoretical and docking studies
Authors of publication	Marandi, Farzin; Moeini, Keyvan; Alizadeh, Fereshteh; Mardani, Zahra; Quah, Ching Kheng; Loh, Wan-Sin; Woollins, J. Derek
Journal of publication	Inorganica Chimica Acta
Year of publication	2018
Journal volume	482
Pages of publication	717 - 725
a	10.8018 ± 0.0014 Å
b	28.923 ± 0.004 Å
c	18.183 ± 0.002 Å
α	90°
β	93.739 ± 0.002°
γ	90°
Cell volume	5668.6 ± 1.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.148
Residual factor for significantly intense reflections	0.0544
Weighted residual factors for significantly intense reflections	0.0944
Weighted residual factors for all reflections included in the refinement	0.1307
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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
267295 (current)	2021-07-06	cif/ Adding structures of 1563987, 1563988, 1563989, 1563990, 1563991 via cif-deposit CGI script.	1563989.cif