Crystallography Open Database

Information card for entry 7112969

Preview

Coordinates	7112969.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	catena-cdelta-(triaqua-1.5(mu-dihydroxymalonato- kappaO,O'':O''',O'''')lanthanum(iii))
Chemical name	catena-Δ-[triaqua-1.5(μ-dihydroxymalonato- κO,O'':O''',O'''')lanthanum(III)]
Formula	C9 H18 La2 O24
Calculated formula	C9 H18 La2 O24
Title of publication	Spontaneous resolution upon crystallization of chiral La(III) and Gd(III) MOFs from achiral dihydroxymalonate.
Authors of publication	Gil-Hernández, Beatriz; Höppe, Henning A; Vieth, Jana K.; Sanchiz, Joaquin; Janiak, Christoph
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	43
Pages of publication	8270 - 8272
a	9.758 ± 0.0003 Å
b	9.758 ± 0.0003 Å
c	21.2982 ± 0.0015 Å
α	90°
β	90°
γ	120°
Cell volume	1756.29 ± 0.15 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	4
Space group number	155
Hermann-Mauguin space group symbol	R 3 2 :H
Hall space group symbol	R 3 2"
Residual factor for all reflections	0.02
Residual factor for significantly intense reflections	0.0178
Weighted residual factors for significantly intense reflections	0.0378
Weighted residual factors for all reflections included in the refinement	0.0381
Goodness-of-fit parameter for all reflections included in the refinement	1.101
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7112969.cif
112188	2014-04-30	cif/ Adding structures of 7112968, 7112969, 7112970 via cif-deposit CGI script.	7112969.cif