Crystallography Open Database

Information card for entry 4079487

Preview

Coordinates	4079487.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H56 Cl1.1 N4 O2.3 Rh
Calculated formula	C44 H52 Cl1.079 N4 O2.342 Rh
Title of publication	Synthesis and Characterization of Cationic Rhodium Peroxo Complexes
Authors of publication	Cipot-Wechsler, Judy; Covelli, Danielle; Praetorius, Jeremy M.; Hearns, Nigel; Zenkina, Olena V.; Keske, Eric C.; Wang, Ruiyao; Kennepohl, Pierre; Crudden, Cathleen M.
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	21
Pages of publication	7306
a	33.0114 ± 0.0013 Å
b	10.8616 ± 0.0005 Å
c	23.8287 ± 0.0009 Å
α	90°
β	100.914 ± 0.002°
γ	90°
Cell volume	8389.4 ± 0.6 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0642
Residual factor for significantly intense reflections	0.0426
Weighted residual factors for significantly intense reflections	0.0939
Weighted residual factors for all reflections included in the refinement	0.1039
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4079487.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4079487.cif
72451	2013-01-21	cif/ Adding structures of 4079487, 4079488, 4079489 via cif-deposit CGI script.	4079487.cif