Crystallography Open Database

Information card for entry 4324228

Preview

Coordinates	4324228.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H46 As10 Mo10 N10 O80
Calculated formula	C60 H46 As10 Mo10 N10 O80
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	19.417 ± 0.004 Å
b	21.04 ± 0.004 Å
c	21.562 ± 0.004 Å
α	113.09 ± 0.03°
β	112.9 ± 0.03°
γ	99.16 ± 0.03°
Cell volume	6941 ± 5 Å³
Cell temperature	108.15 K
Ambient diffraction temperature	108.15 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	0.0789
Residual factor for significantly intense reflections	0.0704
Weighted residual factors for significantly intense reflections	0.1844
Weighted residual factors for all reflections included in the refinement	0.193
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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
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.	4324228.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4324228.cif
40933	2012-03-09	../uploads/cif-deposit/cod/cif Adding structures of 4324228 via cif-deposit CGI script.	4324228.cif