Crystallography Open Database

Information card for entry 3500000

Preview

Coordinates	3500000.cif

Structure parameters

Common name	indium (III) nitrate pentahydrate
Formula	H10 In N3 O14
Calculated formula	H10 In N3 O14
SMILES	[In]1([OH2])([OH2])([OH2])([O]=N(=O)O1)([OH2])[OH2].O=N(=O)[O-].O=N(=O)[O-]
Authors of publication	Daniel C. M. Whynot; Yaoting Zhang; Arthur D. Hendsbee; Cory C. Pye; Jason D. Masuda
Journal of publication	Personal communication to COD
Year of publication	2011
a	10.3396 ± 0.001 Å
b	9.1777 ± 0.0009 Å
c	11.246 ± 0.0011 Å
α	90°
β	91.063 ± 0.001°
γ	90°
Cell volume	1066.99 ± 0.18 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0249
Residual factor for significantly intense reflections	0.0229
Weighted residual factors for significantly intense reflections	0.0553
Weighted residual factors for all reflections included in the refinement	0.0566
Goodness-of-fit parameter for all reflections included in the refinement	1.067
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
176722 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 3.	3500000.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	3500000.cif
19537	2011-05-17	../uploads/cif-deposit/cod/cif Adding structures of 3500000 via cif-deposit CGI script.	3500000.cif