Crystallography Open Database

Information card for entry 8103042

Preview

Coordinates	8103042.cif

Structure parameters

Formula	H54 Mo14 N7 Na4 O61
Calculated formula	H54 Mo14 N7 Na4 O61
Title of publication	Crystal structure of tetrasodium heptaammonium molybdate tridecahydrate, Na4(NH4)7(Mo14O48) · 13H2O
Authors of publication	Hai-Xing Liu
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2010
Journal volume	225
Journal issue	1
Pages of publication	10
a	30.118 ± 0.003 Å
b	10.7699 ± 0.0012 Å
c	20.135 ± 0.002 Å
α	90°
β	110.035 ± 0.002°
γ	90°
Cell volume	6135.9 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0285
Residual factor for significantly intense reflections	0.0261
Weighted residual factors for significantly intense reflections	0.0687
Weighted residual factors for all reflections included in the refinement	0.0699
Goodness-of-fit parameter for all reflections included in the refinement	1.106
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
211175 (current)	2018-09-26	cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8.	8103042.cif
176728	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 8.	8103042.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103042.cif
13781	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8103042 via cif-deposit CGI script.	8103042.cif