Crystallography Open Database

Information card for entry 4507162

Preview

Coordinates	4507162.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H27 La O15 P3
Calculated formula	C12 H27 La O15 P3
Title of publication	Structural Diversity of Lanthanum‒Organic Frameworks Based on 1,4-Phenylenebis(methylene)diphosphonic Acid
Authors of publication	Vilela, Sérgio M. F.; Mendes, Ricardo F.; Silva, Patrícia; Fernandes, José A.; Tomé, João P. C.; Paz, Filipe A. Almeida
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	2
Pages of publication	543
a	7.6851 ± 0.0011 Å
b	11.6395 ± 0.0016 Å
c	12.7044 ± 0.0019 Å
α	105.665 ± 0.007°
β	102.544 ± 0.007°
γ	93.172 ± 0.006°
Cell volume	1060.2 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.031
Residual factor for significantly intense reflections	0.0261
Weighted residual factors for significantly intense reflections	0.0657
Weighted residual factors for all reflections included in the refinement	0.0671
Goodness-of-fit parameter for all reflections included in the refinement	1.204
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
179607 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/71.	4507162.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4507162.cif
73835	2013-02-21	cif/ Adding structures of 4507162, 4507163, 4507164, 4507165 via cif-deposit CGI script.	4507162.cif