Crystallography Open Database

Information card for entry 4501712

Preview

Coordinates	4501712.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H96 Mo6 N2 O43
Calculated formula	C60 H94 Mo6 N2 O43
Title of publication	Supramolecular Architectures from Ammonium-Crown Ether Inclusion Complexes in Polyoxometalate Association: Synthesis, Structure, and Spectroscopy
Authors of publication	Chatterjee, Tanmay; Sarma, Monima; Das, Samar K.
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	7
Pages of publication	3149
a	16.4726 ± 0.0011 Å
b	23.9302 ± 0.0016 Å
c	12.1349 ± 0.0008 Å
α	90°
β	123.61 ± 0.001°
γ	90°
Cell volume	3983.8 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0403
Residual factor for significantly intense reflections	0.0378
Weighted residual factors for significantly intense reflections	0.0944
Weighted residual factors for all reflections included in the refinement	0.0956
Goodness-of-fit parameter for all reflections included in the refinement	1.167
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
179548 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/17.	4501712.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501712.cif
36047	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4501708, 4501709, 4501710, 4501711, 4501712 via cif-deposit CGI script.	4501712.cif