Crystallography Open Database

Information card for entry 7210592

Preview

Coordinates	7210592.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	complex2
Formula	C44 H54 N6 O20 Zn4
Calculated formula	C44 H54 N6 O20 Zn4
SMILES	c12c3cccc1C=[N]1NC(=[O][Zn]451[O]2[Zn]1([O]=C(O5)C)([O]2c5c6c(ccc5)C=[N]5NC(c7ccc(O)cc7)=[O][Zn]785[O]6[Zn]2([O]31)([O]=C(O8)C)OC(=[O]7)C)OC(=[O]4)C)c1ccc(O)cc1.N(C=O)(C)C.CO.N(C=O)(C)C.CO
Title of publication	Synthesis, crystal structures and luminescent properties of tetranuclear Zn molecular clusters with aroylhydrazone ligand
Authors of publication	Tang, Bei-bei; Ma, Heng; Li, Guan-zheng; Wang, Yue-bing; Anwar, Gulinazi; Shi, Rufei; Li, Hui
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	40
Pages of publication	8069
a	10.508 ± 0.002 Å
b	10.684 ± 0.002 Å
c	12.276 ± 0.003 Å
α	112.1 ± 0.03°
β	104.75 ± 0.03°
γ	90.29 ± 0.03°
Cell volume	1227 ± 0.6 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 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	0.0351
Residual factor for significantly intense reflections	0.0263
Weighted residual factors for significantly intense reflections	0.063
Weighted residual factors for all reflections included in the refinement	0.0657
Goodness-of-fit parameter for all reflections included in the refinement	0.981
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.	7210592.cif
88817	2013-10-09	cif/ Adding structures of 7210591, 7210592 via cif-deposit CGI script.	7210592.cif