Latest documents http://publikationen.ub.uni-frankfurt.de/index/index/ Tue, 15 Sep 2009 09:05:17 +0200 Tue, 15 Sep 2009 09:05:17 +0200 http://publikationen.ub.uni-frankfurt.de/frontdoor/index/index/docId/6982 The title compound, [Fe2(C5H5)2(C24H22BP2)(CO)4][FeCl4]·CHCl3, is an oxidation product of CpFe(CO)2PPh2BH3. One pair of phenyl rings attached to the two different P atoms are almost parallel, as are the other pair [dihedral angles = 8.7 (5) and 8.9 (5)°]. The planes of the two cyclopentadienyl rings are inclined by 26.8 (7)° with respect to each other. The carbonyl groups at each Fe atom are almost perpendicular [C-Fe-C = 92.6 (6) and 94.3 (5)°]. Key indicators: single-crystal X-ray study; T = 173 K; mean σ(C–C) = 0.019 Å; R factor = 0.112; wR factor = 0.177; data-to-parameter ratio = 16.8. Franz Dornhaus; Hans-Wolfram Lerner; Michael Bolte article http://publikationen.ub.uni-frankfurt.de/frontdoor/index/index/docId/6982 Tue, 15 Sep 2009 09:05:17 +0200 http://publikationen.ub.uni-frankfurt.de/frontdoor/index/index/docId/6980 The title compound, [Re2(OH)(C10H8N2)2(CO)6][ReO4], is a mixed-valence rhenium compound containing discrete anions and cations. The ReI atoms are in a slightly distorted octahedral environment, whereas the ReVII atoms show the typical tetrahedral coordination mode. The dihedral angle between the two bipyridine groups is 34.3 (7)°. Key indicators: single-crystal X-ray study; T = 173 K; mean σ(C–C) = 0.044 Å; R factor = 0.093; wR factor = 0.262; data-to-parameter ratio = 13.9. Kai Ruth; Thorsten Morawitz; Hans-Wolfram Lerner; Michael Bolte article http://publikationen.ub.uni-frankfurt.de/frontdoor/index/index/docId/6980 Tue, 15 Sep 2009 08:53:56 +0200 http://publikationen.ub.uni-frankfurt.de/frontdoor/index/index/docId/6970 The title compound, C18H15BrSi, crystallizes with two almost identical molecules (r.m.s. deviation for all non-H atoms = 0.074 Å) in the asymmetric unit. It is isomorphous with chlorotriphenylsilane. Key indicators: single-crystal X-ray study; T = 173 K; mean σ(C–C) = 0.010 Å; R factor = 0.095; wR factor = 0.288; data-to-parameter ratio = 17.0. Hannah Steinert; Hans-Wolfram Lerner; Michael Bolte article http://publikationen.ub.uni-frankfurt.de/frontdoor/index/index/docId/6970 Mon, 14 Sep 2009 09:19:23 +0200 http://publikationen.ub.uni-frankfurt.de/frontdoor/index/index/docId/6969 The complete molecule of the title compound, [Sn(C6H5)2Cl2(C9H21OP)2], is generated by crystallographic inversion symmetry, the Sn atom is located on a special position of site symmetry \overline{1}. The Sn atom adopts an all-trans SnC2O2Cl2 octahedral geometry. As a consequence of the bulky substituents at the O atom, the P-O-Sn bond angle is 163.9 (3)°. Key indicators: single-crystal X-ray study; T = 173 K; mean σ(C–C) = 0.012 Å; R factor = 0.058; wR factor = 0.099; data-to-parameter ratio = 18.6. Manuela Müller; Hans-Wolfram Lerner; Michael Bolte article http://publikationen.ub.uni-frankfurt.de/frontdoor/index/index/docId/6969 Mon, 14 Sep 2009 08:45:09 +0200 http://publikationen.ub.uni-frankfurt.de/frontdoor/index/index/docId/6965 In the title compound, C12H14N22+·2Cl-, the 4,4'-dimethyl-2,2'-bipyridinium cation is essentially planar (r.m.s. deviation for all non-H atoms = 0.004 Å) and is located on a crystallographic inversion centre. The cations and chloride anions lie in planes parallel to (111) and are connected by N-H...Cl and C-H...Cl hydrogen bonds. Key indicators: single-crystal X-ray study; T = 173 K; mean σ(C–C) = 0.003 Å; R factor = 0.036; wR factor = 0.080; data-to-parameter ratio = 14.7. Urs David Eckensberger; Hans-Wolfram Lerner; Michael Bolte article http://publikationen.ub.uni-frankfurt.de/frontdoor/index/index/docId/6965 Fri, 11 Sep 2009 09:15:19 +0200 http://publikationen.ub.uni-frankfurt.de/frontdoor/index/index/docId/6960 The geometric parameters of the molecule of the title compound, C14H16O2P2, are in the usual ranges. It is a meso compound with the two chiral P atoms having opposite configurations. The P-CH2-CH2-P chain adopts a trans conformation [torsion angle -178.59 (17)°]. The P=O bonds are almost coplanar with the adjacent phenyl ring [torsion angles = 3.8 (3) and 0.3 (3)°]. Whereas one of them is synclinal [torsion angle = -59.0 (2)°] to the central C-C bond, the other is anticlinal [torsion angle = 56.6 (2)°] to the central C-C bond. The dihedral angle between the two phenyl rings is 5.2 (3)°. The molecules are linked by weak C-H...O hydrogen bonds. They crystallize in rows running along the c axis. Key indicators: single-crystal X-ray study; T = 173 K; mean σ(C–C) = 0.005 Å; R factor = 0.038; wR factor = 0.093; data-to-parameter ratio = 15.2. Franz Dornhaus; Hans-Wolfram Lerner; Michael Bolte article http://publikationen.ub.uni-frankfurt.de/frontdoor/index/index/docId/6960 Fri, 11 Sep 2009 08:34:01 +0200