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Information card for 7015472

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Coordinates

7015472.cif

Structure parameters

Formula - C30 H20 Br2 Cu N4 O4 S2 -
Calculated formula - C30 H20 Br2 Cu N4 O4 S2 -
Title of publication One-step synthesis of Mo(0) and W(0) bis(dinitrogen) complexes with the linear tetraphosphine ligand prP4: stereoselective formation of cis-[M(N2)2(rac-prP4)] and trans-[M(N2)2(meso-prP4)]; M = Mo, W.
Authors of publication Römer, René; Gradert, Christian; Bannwarth, Alexander; Peters, Gerhard; Näther, Christian; Tuczek, Felix
Journal of publication Dalton transactions (Cambridge, England : 2003)
Year of publication 2011
Journal volume 40
Journal issue 13
Pages of publication 3229 - 3236
a 17.027 ± 0.003 Å
b 9.5242 ± 0.0019 Å
c 18.442 ± 0.004 Å
α 90°
β 104.05 ± 0.03°
γ 90°
Cell volume 2901.2 ± 1.1 Å3
Cell temperature 173 ± 1 K
Ambient diffraction temperature 173 ± 1 K
Number of distinct elements 7
Hermann-Mauguin symmetry space group P 1 21/n 1
Hall symmetry space group -P 2yn
Residual factor for all reflections 0.1035
Residual factor for observed reflections 0.0497
Weighted residual factors for the observed reflections 0.1119
Weighted residual factors for all reflections included in the refinement 0.1182
Goodness-of-fit parameter for observed reflections 0.927
Diffraction radiation wavelength 0.71073 Å
Diffraction radiation type MoKα
Has coordinates Yes
Has disorder No
Has Fobs No

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