Crystallography Open Database

Information card for entry 4503848

Preview

Coordinates	4503848.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H11 O7 P2 Pr
Calculated formula	C8 H11 O7 P2 Pr
Title of publication	Hydro-Ionothermal Synthesis of Lanthanide-Organic Frameworks with 1,4-Phenylenebis(methylene)diphosphonate
Authors of publication	Shi, Fa-Nian; Trindade, Tito; Rocha, João; Paz, Filipe A. Almeida
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	11
Pages of publication	3917
a	5.6753 ± 0.0003 Å
b	9.528 ± 0.0004 Å
c	11.5759 ± 0.0005 Å
α	73.985 ± 0.002°
β	80.573 ± 0.003°
γ	79.193 ± 0.002°
Cell volume	586.82 ± 0.05 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	0.0519
Residual factor for significantly intense reflections	0.0487
Weighted residual factors for significantly intense reflections	0.1299
Weighted residual factors for all reflections included in the refinement	0.131
Goodness-of-fit parameter for all reflections included in the refinement	1.225
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
179573 (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 4/50/38.	4503848.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4503848.cif
41818	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503848 via cif-deposit CGI script.	4503848.cif