Crystallography Open Database

Information card for entry 4339297

Preview

Coordinates	4339297.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C111 H93 Cl15 Mo3 O6 P7 S4
Calculated formula	C111 H72 Cl15 Mo3 O6 P7 S4
Title of publication	C3-symmetric trinuclear molybdenum cluster sulfides: configurational stability, supramolecular stereocontrol, and absolute configuration assignment.
Authors of publication	Frantz, Richard; Guillamón, Eva; Lacour, Jérôme; Llusar, Rosa; Polo, Victor; Vicent, Cristian
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	25
Pages of publication	10717 - 10723
a	17.1206 ± 0.0014 Å
b	19.6851 ± 0.0015 Å
c	20.716 ± 0.0016 Å
α	97.01 ± 0.002°
β	92.467 ± 0.002°
γ	108.341 ± 0.002°
Cell volume	6552.9 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.1732
Residual factor for significantly intense reflections	0.0806
Weighted residual factors for significantly intense reflections	0.2067
Weighted residual factors for all reflections included in the refinement	0.2615
Goodness-of-fit parameter for all reflections included in the refinement	1.178
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
179495 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/92.	4339297.cif
117257	2014-06-14	cif/ Adding structures of 4339297 via cif-deposit CGI script.	4339297.cif