Crystallography Open Database

Information card for entry 1512827

Preview

Coordinates	1512827.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H36 N8 O18 Zn2
Calculated formula	C44 H36 N8 O18 Zn2
SMILES	[Zn]12([O]=C(O[Zn]3([O]=C(O1)c1cc(cc(c1)C(=O)O)C(=O)[O-])([OH2])([OH2])[n]1cccc4c5[nH]cnc5c5ccc[n]3c5c14)c1cc(cc(c1)C(=O)O)C(=O)[O-])([OH2])([OH2])[n]1cccc3c1c1[n]2cccc1c1nc[nH]c31.O.O
Title of publication	Syntheses, structures, and photoluminescence of a series of d10 coordination complexes from N,N'-bidentate imidazo[4,5-f][1,10]phenanthroline and benzene-1,3,5-tricarboxylic acid
Authors of publication	Guang-Bo Che; Shan-Shan Wang; Xiao-Lin Zha; Xiu-Ying Li; Chun-Bo Liu; Xing-Jing Zhang; Zhan-Lin Xu; Qing-Wei Wang
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	394
Pages of publication	481 - 487
a	8.5875 ± 0.0017 Å
b	9.0836 ± 0.0018 Å
c	14.313 ± 0.003 Å
α	82.15 ± 0.03°
β	87.49 ± 0.03°
γ	73.34 ± 0.03°
Cell volume	1059.6 ± 0.4 Å³
Cell temperature	292 ± 2 K
Ambient diffraction temperature	292 ± 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	0.0353
Residual factor for significantly intense reflections	0.0292
Weighted residual factors for significantly intense reflections	0.0772
Weighted residual factors for all reflections included in the refinement	0.0785
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	1512827.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512827.cif
90974	2013-11-22	cif/ Adding structures of 1512827 via cif-deposit CGI script.	1512827.cif