Crystallography Open Database

Information card for entry 7023244

Preview

Coordinates	7023244.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H52 Mo3 N2 O10 P3 S10
Calculated formula	C28 H52 Mo3 N2 O10 P3 S10
Title of publication	Tungsten and molybdenum incomplete cuboidal clusters; kinetico-mechanistic studies and association in dimers.
Authors of publication	Hernandez-Molina, Rita; Gushchin, Artem; González-Platas, Javier; Martínez, Manuel; Rodríguez, Carlos; Vicent, Cristian
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	42
Pages of publication	15016 - 15027
a	12.8385 ± 0.0004 Å
b	13.8201 ± 0.0006 Å
c	14.9195 ± 0.0006 Å
α	104.542 ± 0.004°
β	93.902 ± 0.003°
γ	108.054 ± 0.004°
Cell volume	2405.4 ± 0.18 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0305
Residual factor for significantly intense reflections	0.029
Weighted residual factors for significantly intense reflections	0.0797
Weighted residual factors for all reflections included in the refinement	0.0814
Goodness-of-fit parameter for all reflections included in the refinement	0.991
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179937 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/32.	7023244.cif
90478	2013-11-17	cif/ Adding structures of 7023242, 7023243, 7023244, 7023245 via cif-deposit CGI script.	7023244.cif