Crystallography Open Database

Information card for entry 7027376

Preview

Coordinates	7027376.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H38 Cl8 Ru Te4
Calculated formula	C32 H38 Cl8 Ru Te4
SMILES	C1CC[Te]([Ru]2([Te]1c1ccccc1)(Cl)(Cl)[Te](CCC[Te]2c1ccccc1)c1ccccc1)c1ccccc1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
Title of publication	Platinum metal ditelluroether complexes: synthesis, spectroscopic and structural studies of [M(L‒L)2][PF6]2 [M = Pd or Pt, L‒L = RTe(CH2)3TeR (R = Me or Ph) or C6H4(TeMe)2-o], [Rh(L‒L)2Cl2]PF6, [Ru(L‒L)2X2] (X = Cl, Br or I) and [Ru(L‒L)2(PPh3)Cl]PF6
Authors of publication	Levason, William; Orchard, Simon D.; Reid, Gillian; Tolhurst, Vicki-Ann
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	1999
Journal issue	12
Pages of publication	2071
a	10.3523 ± 0.0004 Å
b	10.786 ± 0.0004 Å
c	11.1139 ± 0.0005 Å
α	114.6°
β	107.14°
γ	102.42°
Cell volume	993.42 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0756
Residual factor for significantly intense reflections	0.0505
Weighted residual factors for significantly intense reflections	0.1177
Weighted residual factors for all reflections included in the refinement	0.1304
Goodness-of-fit parameter for all reflections included in the refinement	0.99
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
179979 (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 7/02/73.	7027376.cif
130086	2015-01-23	cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ \| xargs -i sh -c 'cif_fix_values {} \ \| cif_filter --add-cif-header {} \ \| sponge {}'	7027376.cif
95325	2014-01-28	cif/ Adding structures of 7027376, 7027377, 7027378 via cif-deposit CGI script.	7027376.cif