Crystallography Open Database

Information card for entry 4310999

Preview

Coordinates	4310999.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	MIL84
Formula	C112 H80 N16 O128 P16 Pr16
Calculated formula	C112 H80 N16 O128 P16 Pr16
Title of publication	Synthesis and Characterization of a New Three-Dimensional Lanthanide Carboxyphosphonate: Ln4(H2O)7[O2C-C5H10N-CH2-PO3]4(H2O)5
Authors of publication	Christian Serre; Norbert Stock; Thomas Bein; Gérard Férey
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	3159 - 3163
a	23.4805 ± 0.001 Å
b	10.1588 ± 0.001 Å
c	23.0055 ± 0.001 Å
α	90°
β	105.63°
γ	90°
Cell volume	5284.7 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0681
Residual factor for significantly intense reflections	0.0476
Weighted residual factors for significantly intense reflections	0.0913
Weighted residual factors for all reflections included in the refinement	0.0983
Goodness-of-fit parameter for all reflections included in the refinement	1.127
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
179148 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/09.	4310999.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4310999.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4310999.cif
2491	2010-11-10	../uploads/cif-deposit/cod/cif Adding structures of 4310999 via cif-deposit CGI script.	4310999.cif