Crystallography Open Database

Information card for entry 7023454

Preview

Coordinates	7023454.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H9 N O11 P2 Sr2
Calculated formula	C5 H9 N O11 P2 Sr2
SMILES	C(C(=O)[O-])[NH+](CP(=O)([O-])O)CC(=O)[O-].[Sr+2].O=P(O)([O-])[O-].[Sr+2]
Title of publication	Alkaline-earth metal phosphonocarboxylates: synthesis, structures, chirality, and luminescence properties.
Authors of publication	Zima, Vítězslav; Raja, Duraisamy Senthil; Lee, Yu-Shan; Chang, Ting-Guang; Wu, Cheng-You; Hu, Chien-Chieh; Lee, Kueir-Rarn; Lai, Juin-Yih; Yeh, Jui-Ming; Lin, Chia-Her
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	43
Pages of publication	15332 - 15342
a	5.2567 ± 0.0004 Å
b	8.7839 ± 0.0006 Å
c	26.549 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	1225.88 ± 0.15 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0311
Residual factor for significantly intense reflections	0.0269
Weighted residual factors for significantly intense reflections	0.0532
Weighted residual factors for all reflections included in the refinement	0.0542
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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
212870 (current)	2019-01-06	cif/7 Fixing some Z values and formulae	7023454.cif
176432	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7023454.cif
90541	2013-11-18	cif/ Adding structures of 7023451, 7023452, 7023453, 7023454, 7023455, 7023456, 7023457, 7023458 via cif-deposit CGI script.	7023454.cif