Crystallography Open Database

Information card for entry 2105287

Preview

Coordinates	2105287.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	ammonium oxofluoroniobate
Formula	F28 H40 N10 Nb6 O6
Calculated formula	F9.33333 H13.3333 N3.33333 Nb2 O2
Title of publication	Dinuclear oxofluorometallates as a new structural type of <i>d</i>^0^ transition metal oxofluoride compound
Authors of publication	Udovenko, Anatoly A.; Laptash, Natalia M.
Journal of publication	Acta Crystallographica Section B
Year of publication	2012
Journal volume	68
Journal issue	6
Pages of publication	602 - 609
a	20.3757 ± 0.0004 Å
b	20.3757 ± 0.0004 Å
c	8.0851 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	2906.97 ± 0.13 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	164
Hermann-Mauguin space group symbol	P -3 m 1
Hall space group symbol	-P 3 2"
Residual factor for all reflections	0.0886
Residual factor for significantly intense reflections	0.0819
Weighted residual factors for significantly intense reflections	0.2241
Weighted residual factors for all reflections included in the refinement	0.224
Goodness-of-fit parameter for all reflections included in the refinement	1.082
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
189062 (current)	2016-12-12	cif/2/10 (antanas@echidna.ibt.lt) Marking attached hydrogen atoms.	2105287.cif
176432	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	2105287.cif
125873	2014-10-25	cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes.	2105287.cif
71062	2013-01-18	cif/ Adding structures of 2105286, 2105287, 2105288, 2105289, 2105290 via cif-deposit CGI script.	2105287.cif