Crystallography Open Database

Information card for entry 7014591

Preview

Coordinates	7014591.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38.5 H32 Cl F6 N2 O3 P2 Re
Calculated formula	C38.5 H32 Cl F6 N2 O3 P2 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	21.0703 ± 0.0015 Å
b	11.378 ± 0.0008 Å
c	15.0859 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	3616.7 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
Space group number	34
Hermann-Mauguin space group symbol	P n n 2
Hall space group symbol	P 2 -2n
Residual factor for all reflections	0.0602
Residual factor for significantly intense reflections	0.0374
Weighted residual factors for significantly intense reflections	0.0608
Weighted residual factors for all reflections included in the refinement	0.0662
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7014591.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7014591.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7014591.cif
14798	2011-03-11	../uploads/cif-deposit/cod/cif Adding structures of 7014591, 7014592, 7014593, 7014594 via cif-deposit CGI script.	7014591.cif