Crystallography Open Database

Information card for entry 1563513

Preview

Coordinates	1563513.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H24 Ce4 O26
Calculated formula	C48 H24 Ce4 O26
Title of publication	Synthesis, crystal structure and thermal behavior of two hydrated forms of lanthanide phthalates Ln2(O2+C6H4‒CO2)3(H2O) (Ln=Ce, Nd) and Nd2(O2C‒C6H4‒CO2)3(H2O)3
Authors of publication	Pizon, David; Henry, Natacha; Loiseau, Thierry; Roussel, Pascal; Abraham, Francis
Journal of publication	Journal of Solid State Chemistry
Year of publication	2010
Journal volume	183
Journal issue	9
Pages of publication	1943 - 1948
a	7.9053 ± 0.0002 Å
b	11.7211 ± 0.0002 Å
c	15.0873 ± 0.0004 Å
α	111.667 ± 0.001°
β	95.073 ± 0.001°
γ	102.134 ± 0.001°
Cell volume	1248.78 ± 0.05 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0658
Residual factor for significantly intense reflections	0.0502
Weighted residual factors for significantly intense reflections	0.0515
Weighted residual factors for all reflections included in the refinement	0.0528
Goodness-of-fit parameter for significantly intense reflections	2.62
Goodness-of-fit parameter for all reflections included in the refinement	2.44
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
266486 (current)	2021-06-16	cif/ Adding structures of 1563512, 1563513, 1563514, 1563515 via cif-deposit CGI script.	1563513.cif