Crystallography Open Database

Information card for entry 7015472

Preview

Coordinates	7015472.cif
Original paper (by DOI)	HTML

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
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1035
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.1119
Weighted residual factors for all reflections included in the refinement	0.1182
Goodness-of-fit parameter for all reflections included in the refinement	0.927
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
179858 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/54.	7015472.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7015472.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7015472.cif
21162	2011-06-21	../uploads/cif-deposit/cod/cif Adding structures of 7015472, 7015473, 7015474, 7015475 via cif-deposit CGI script.	7015472.cif