Crystallography Open Database

Information card for entry 7023245

Preview

Coordinates	7023245.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H70 Mo6 N2 O16 P6 S20
Calculated formula	C32 H70 Mo6 N2 O16 P6 S20
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	14.1592 ± 0.0002 Å
b	20.8726 ± 0.0004 Å
c	25.038 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	7399.7 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0837
Residual factor for significantly intense reflections	0.0694
Weighted residual factors for significantly intense reflections	0.176
Weighted residual factors for all reflections included in the refinement	0.1907
Goodness-of-fit parameter for all reflections included in the refinement	1.142
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.	7023245.cif
90478	2013-11-17	cif/ Adding structures of 7023242, 7023243, 7023244, 7023245 via cif-deposit CGI script.	7023245.cif