Crystallography Open Database

Information card for entry 7014593

Preview

Coordinates	7014593.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H15 Cl4 N2 O3 Re
Calculated formula	C21 H15 Cl4 N2 O3 Re
Title of publication	Re(V) and Re(III) complexes with sal2phen and triphenylphosphine: rearrangement, oxidation and reduction.
Authors of publication	Lane, Stephanie Renee; Sisay, Nebiat; Carney, Brett; Dannoon, Shorouk; Williams, Stephen; Engelbrecht, Hendrik Petrus; Barnes, Charles Leslie; Jurisson, Silvia Sabine
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	1
Pages of publication	269 - 276
a	19.4392 ± 0.0014 Å
b	10.9257 ± 0.0008 Å
c	21.4868 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	4563.5 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0456
Residual factor for significantly intense reflections	0.035
Weighted residual factors for significantly intense reflections	0.0886
Weighted residual factors for all reflections included in the refinement	0.0949
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179849 (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 7/01/45.	7014593.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7014593.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7014593.cif
14798	2011-03-11	../uploads/cif-deposit/cod/cif Adding structures of 7014591, 7014592, 7014593, 7014594 via cif-deposit CGI script.	7014593.cif