Crystallography Open Database

Information card for entry 1551210

Preview

Coordinates	1551210.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H120 B2 Ca2 N22 O6 P6
Calculated formula	C56 H120 B2 Ca2 N22 O6 P6
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	12.5167 ± 0.0007 Å
b	23.8825 ± 0.001 Å
c	14.1982 ± 0.0008 Å
α	90°
β	112.347 ± 0.006°
γ	90°
Cell volume	3925.5 ± 0.4 Å³
Cell temperature	180 ± 0.1 K
Ambient diffraction temperature	180 ± 0.1 K
Number of distinct elements	7
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	0.0986
Residual factor for significantly intense reflections	0.0871
Weighted residual factors for significantly intense reflections	0.2293
Weighted residual factors for all reflections included in the refinement	0.2398
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	1551210.cif
215694	2019-06-05	cif/ Adding structures of 1551209, 1551210, 1551211, 1551212, 1551213, 1551214 via cif-deposit CGI script.	1551210.cif