Crystallography Open Database

Information card for entry 4344003

Preview

Coordinates	4344003.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H9 B5 Ce2 O15
Calculated formula	C4 H9 B5 Ce2 O15
Title of publication	Series of SHG Materials Based on Lanthanide Borate-Acetate Mixed Anion Compounds.
Authors of publication	Yang, Hui; Hu, Chun-Li; Xu, Xiang; Mao, Jiang-Gao
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	15
Pages of publication	7516 - 7523
a	10.7454 ± 0.0007 Å
b	20.0674 ± 0.0011 Å
c	6.458 ± 0.0004 Å
α	90°
β	90.527 ± 0.006°
γ	90°
Cell volume	1392.49 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0603
Residual factor for significantly intense reflections	0.0573
Weighted residual factors for significantly intense reflections	0.1418
Weighted residual factors for all reflections included in the refinement	0.1449
Goodness-of-fit parameter for all reflections included in the refinement	1.083
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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