Crystallography Open Database

Information card for entry 1551209

Preview

Coordinates	1551209.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H60 B2 Mg2 N4 O6
Calculated formula	C44 H60 B2 Mg2 N4 O6
SMILES	B12B3N4[Mg](N2c2cccc5c2c(ccc5)N1[Mg](N3c1cccc2c1c4ccc2)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
Title of publication	Alkaline-earth metallacyclic complexes bearing a diborane-bridged tetraamide ligand: synthesis, structure and fluorescence property.
Authors of publication	Li, Nan; Zhao, Zifeng; Yu, Chao; Wu, Botao; Bian, Zuqiang; Zhang, Wen-Xiong; Xi, Zhenfeng
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	25
Pages of publication	9067 - 9071
a	9.0637 ± 0.0003 Å
b	14.0668 ± 0.0006 Å
c	16.2694 ± 0.0006 Å
α	90°
β	93.484 ± 0.003°
γ	90°
Cell volume	2070.47 ± 0.14 Å³
Cell temperature	119.99 ± 0.1 K
Ambient diffraction temperature	119.99 ± 0.1 K
Number of distinct elements	6
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	0.0849
Residual factor for significantly intense reflections	0.0646
Weighted residual factors for significantly intense reflections	0.1752
Weighted residual factors for all reflections included in the refinement	0.1885
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation probe	x-ray
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
224213 (current)	2019-11-08	cif/ Updating files of 1551209, 1551210, 1551211, 1551212, 1551213, 1551214 Original log message: Adding full bibliography for 1551209--1551214.cif.	1551209.cif
215694	2019-06-05	cif/ Adding structures of 1551209, 1551210, 1551211, 1551212, 1551213, 1551214 via cif-deposit CGI script.	1551209.cif