Crystallography Open Database

Information card for entry 4317138

Preview

Coordinates	4317138.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	ZrONep H2O
Formula	C49 H108 O11 Zr3
Calculated formula	C49 H108 O11 Zr3
Title of publication	Series of Comparable Dinuclear Group 4 Neo-pentoxide Precursors for Production of pH Dependent Group 4 Nanoceramic Morphologies
Authors of publication	Timothy J. Boyle; Leigh Anna M. Ottley; Sarah M. Hoppe; Charles F. Campana
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	10798 - 10808
a	18.9319 ± 0.0016 Å
b	18.9319 ± 0.0016 Å
c	23.033 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	7149.4 ± 1.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	165
Hermann-Mauguin space group symbol	P -3 c 1
Hall space group symbol	-P 3 2"c
Residual factor for all reflections	0.0452
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.107
Weighted residual factors for all reflections included in the refinement	0.1085
Goodness-of-fit parameter for all reflections included in the refinement	1.144
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179251 (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 4/31/71.	4317138.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4317138.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4317138.cif
10650	2011-02-12	../uploads/cif-deposit/cod/cif Adding structures of 4317138 via cif-deposit CGI script.	4317138.cif