Crystallography Open Database

Information card for entry 4302115

Preview

Coordinates	4302115.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Nd(H5L) a
Formula	C8 H19 Nd O16 P4
Calculated formula	C8 H16 Nd O16 P4
Title of publication	1,4-Phenylenebis(methylidyne)tetrakis(phosphonic acid): A New Building Block in Metal Organic Framework Synthesis
Authors of publication	Monika Plabst; Thomas Bein
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	4331 - 4341
a	5.673 Å
b	12.193 Å
c	14.474 Å
α	73.03°
β	85.47°
γ	76.74°
Cell volume	931.978 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.0378
Residual factor for significantly intense reflections	0.0278
Weighted residual factors for significantly intense reflections	0.0519
Weighted residual factors for all reflections included in the refinement	0.0545
Goodness-of-fit parameter for all reflections included in the refinement	1.075
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
179059 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/21.	4302115.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4302115.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4302115.cif
1054	2010-03-28	cif/4/ Adding data extracted in Inorg-Chem-2009_01-10/ processing.	4302115.cif