Crystallography Open Database

Information card for entry 4501176

Preview

Coordinates	4501176.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H5 O6 P2 Pr
Calculated formula	C6 H5 O6 P2 Pr
Title of publication	Organic‒Inorganic Hybrids Assembled from Lanthanide and 1,4-Phenylenebis(phosphonate)
Authors of publication	Amghouz, Zakariae; García-Granda, Santiago; García, José R.; Clearfield, Abraham; Valiente, Rafael
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	12
Pages of publication	5289
a	5.606 ± 0.0004 Å
b	20.251 ± 0.007 Å
c	8.274 ± 0.0006 Å
α	90°
β	108.522 ± 0.011°
γ	90°
Cell volume	890.7 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.112
Residual factor for significantly intense reflections	0.0541
Weighted residual factors for significantly intense reflections	0.1222
Weighted residual factors for all reflections included in the refinement	0.1507
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
179542 (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 4/50/11.	4501176.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501176.cif
34794	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4501176 via cif-deposit CGI script.	4501176.cif