Crystallography Open Database

Information card for entry 4307141

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Coordinates	4307141.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H56 Mo2 O6 P2 Te2
Calculated formula	C44 H56 Mo2 O6 P2 Te2
SMILES	[Mo]1([Te](c2cccc3ccccc23)[Mo]([Te]1c1cccc3ccccc13)([P](C(C)C)(C(C)C)C(C)C)(C#[O])(C#[O])C#[O])([P](C(C)C)(C(C)C)C(C)C)(C#[O])(C#[O])C#[O]
Title of publication	Synthesis, Structure, and Thermochemistry of the Formation of the Metal-Metal Bonded Dimers [Mo(μ-TeAr)(CO)3(PiP3)]2 (Ar = Phenyl, Naphthyl) by Phosphine Elimination from .Mo(TePh)(CO)3(PiPr3)2
Authors of publication	John J. Weir; James E. McDonough; George Fortman; Derek Isrow; Carl D. Hoff; Brian Scott; Gregory J. Kubas
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	652 - 659
a	11.3864 ± 0.0003 Å
b	14.2809 ± 0.0003 Å
c	16.9416 ± 0.0004 Å
α	103.412 ± 0.0003°
β	91.5691 ± 0.0003°
γ	101.357 ± 0.0003°
Cell volume	2619.52 ± 0.11 Å³
Cell temperature	141 ± 1 K
Ambient diffraction temperature	141 ± 1 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	0.0449
Residual factor for significantly intense reflections	0.0283
Weighted residual factors for significantly intense reflections	0.0833
Weighted residual factors for all reflections included in the refinement	0.1217
Goodness-of-fit parameter for all reflections included in the refinement	0.992
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
179109 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/71.	4307141.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4307141.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4307141.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	4307141.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4307141.cif