Crystallography Open Database

Information card for entry 7016485

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Coordinates	7016485.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H10 O4 P Pb0.5
Calculated formula	C9 H10 O4 P Pb0.5
Title of publication	Novel second-harmonic-generation-active lead(ii) phosphinate based on 2-carboxyethyl(phenyl)phosphinate ligand.
Authors of publication	Sun, Yu-Hui; Xu, Xiang; Du, Zi-Yi; Dong, Li-Jie; Zhao, Cui-Cui; Xie, Yong-Rong
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	36
Pages of publication	9295 - 9298
a	22.851 ± 0.0003 Å
b	8.5199 ± 0.0001 Å
c	5.1848 ± 0.0001 Å
α	90°
β	99.495 ± 0.001°
γ	90°
Cell volume	995.59 ± 0.03 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.028
Residual factor for significantly intense reflections	0.028
Weighted residual factors for significantly intense reflections	0.0706
Weighted residual factors for all reflections included in the refinement	0.0706
Goodness-of-fit parameter for all reflections included in the refinement	1.097
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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