Crystallography Open Database

Information card for entry 7029516

Preview

Coordinates	7029516.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H80 La4 N6 O37
Calculated formula	C33 H56.01 La4 N6 O34
Title of publication	A lanthanum chelate possessing an open-channel framework with water nanotubes: properties and desalination.
Authors of publication	Chen, Mao-Long; Guo, Yi-Chao; Yang, Fang; Liang, Jin-Xia; Cao, Ze-Xing; Zhou, Zhao-Hui
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	16
Pages of publication	6026 - 6031
a	19.9381 ± 0.0004 Å
b	19.9381 ± 0.0004 Å
c	8.9822 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	3092.29 ± 0.14 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173.15 K
Number of distinct elements	5
Space group number	147
Hermann-Mauguin space group symbol	P -3
Hall space group symbol	-P 3
Residual factor for all reflections	0.055
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.0748
Weighted residual factors for all reflections included in the refinement	0.0794
Goodness-of-fit parameter for all reflections included in the refinement	1.113
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
180001 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/95.	7029516.cif
108333	2014-03-30	cif/ Adding structures of 7029513, 7029514, 7029515, 7029516 via cif-deposit CGI script.	7029516.cif