Crystallography Open Database

Information card for entry 7227175

Preview

Coordinates	7227175.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H33 Er N4 O12 Zn
Calculated formula	C24 H33 Er N4 O12 Zn
SMILES	[Er]123456([O]7[Zn]89([O]2c2c([O]1C)cc(cc2C[N]8(CC[N]9(Cc1c7c([O]3C)cc(c1)C)C)C)C)[O]=C(O5)C)(ON(=[O]6)=O)ON(=O)=[O]4
Title of publication	Rational design of triple-bridged dinuclear ZnIILnIII-based complexes: a structural, magnetic and luminescence study
Authors of publication	Zabala-Lekuona, A.; Cepeda, J.; Oyarzabal, I.; Rodríguez-Diéguez, A.; García, J. A.; Seco, J. M.; Colacio, E.
Journal of publication	CrystEngComm
Year of publication	2017
Journal volume	19
Journal issue	2
Pages of publication	256
a	11.278 ± 0.0004 Å
b	11.665 ± 0.0005 Å
c	25.6084 ± 0.0008 Å
α	82.789 ± 0.003°
β	79.834 ± 0.003°
γ	63.148 ± 0.004°
Cell volume	2954.5 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0313
Residual factor for significantly intense reflections	0.0262
Weighted residual factors for significantly intense reflections	0.0536
Weighted residual factors for all reflections included in the refinement	0.056
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
191546 (current)	2017-02-04	cif/ Updating files of 7227173, 7227174, 7227175, 7227176 Original log message: Adding full bibliography for 7227173--7227176.cif.	7227175.cif
188664	2016-11-25	cif/ Adding structures of 7227173, 7227174, 7227175, 7227176 via cif-deposit CGI script.	7227175.cif