Crystallography Open Database

Information card for entry 4503847

Preview

Coordinates	4503847.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H11 Ce O7 P2
Calculated formula	C8 H11 Ce O7 P2
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	5.7048 ± 0.0006 Å
b	9.5728 ± 0.0009 Å
c	11.6025 ± 0.0013 Å
α	73.808 ± 0.005°
β	80.12 ± 0.005°
γ	78.725 ± 0.005°
Cell volume	592.12 ± 0.11 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	0.0739
Residual factor for significantly intense reflections	0.0729
Weighted residual factors for significantly intense reflections	0.1881
Weighted residual factors for all reflections included in the refinement	0.1887
Goodness-of-fit parameter for all reflections included in the refinement	1.238
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.	4503847.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4503847.cif
41817	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503847 via cif-deposit CGI script.	4503847.cif