Crystallography Open Database

Information card for entry 4324227

Preview

Coordinates	4324227.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H36 As4 Mo4 N7 O25
Calculated formula	C27 H36 As4 Mo4 N7 O25
Title of publication	Self-Assembly of Hybrid Organic-Inorganic Polyoxomolybdates: Solid-State Structures and Investigation of Formation and Core Rearrangements in Solution
Authors of publication	Camelia I. Onet; Lei Zhang; Rodolphe Clérac; J. Bernard Jean-Denis; Martin Feeney; Thomas McCabe; Wolfgang Schmitt
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	604 - 613
a	10.207 ± 0.004 Å
b	13.74 ± 0.005 Å
c	19.7 ± 0.008 Å
α	87.426 ± 0.013°
β	82.265 ± 0.01°
γ	71.005 ± 0.011°
Cell volume	2588.6 ± 1.7 Å³
Cell temperature	118 ± 2 K
Ambient diffraction temperature	118 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0892
Residual factor for significantly intense reflections	0.0836
Weighted residual factors for significantly intense reflections	0.1961
Weighted residual factors for all reflections included in the refinement	0.2006
Goodness-of-fit parameter for all reflections included in the refinement	1.006
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179345 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/42.	4324227.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4324227.cif
40932	2012-03-09	../uploads/cif-deposit/cod/cif Adding structures of 4324227 via cif-deposit CGI script.	4324227.cif