Crystallography Open Database

Information card for entry 1551211

Preview

Coordinates	1551211.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H94 B2 N16 O5 P4 Sr
Calculated formula	C48 H94 B2 N16 O5 P4 Sr
SMILES	N(C)(C)P(N(C)C)(N(C)C)=[O][Sr]1(N2c3c4c(cccc4ccc3)NB2B2N1c1c3c(cccc3ccc1)N2)([O]=P(N(C)C)(N(C)C)N(C)C)([O]=P(N(C)C)(N(C)C)N(C)C)[O]=P(N(C)C)(N(C)C)N(C)C.C1COCC1
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	17.0218 ± 0.0005 Å
b	17.4203 ± 0.0006 Å
c	21.4191 ± 0.0007 Å
α	90°
β	100.718 ± 0.003°
γ	90°
Cell volume	6240.5 ± 0.4 Å³
Cell temperature	180 ± 0.1 K
Ambient diffraction temperature	180 ± 0.1 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0363
Residual factor for significantly intense reflections	0.0314
Weighted residual factors for significantly intense reflections	0.0829
Weighted residual factors for all reflections included in the refinement	0.086
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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.	1551211.cif
215694	2019-06-05	cif/ Adding structures of 1551209, 1551210, 1551211, 1551212, 1551213, 1551214 via cif-deposit CGI script.	1551211.cif