Crystallography Open Database

Information card for entry 4064951

Preview

Coordinates	4064951.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H49 Cl F6 N2 O P Rh Ru
Calculated formula	C32 H49 Cl F6 N2 O P Rh Ru
Title of publication	A Cationic N-Heterocyclic Carbene with an Organometallic Backbone: Synthesis and Reactivity
Authors of publication	Hildebrandt, Björn; Frank, Walter; Ganter, Christian
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	13
Pages of publication	3483
a	12.5547 ± 0.0003 Å
b	10.7005 ± 0.0006 Å
c	14.7609 ± 0.0006 Å
α	90°
β	115.168 ± 0.003°
γ	90°
Cell volume	1794.75 ± 0.14 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	9
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0849
Residual factor for significantly intense reflections	0.0735
Weighted residual factors for significantly intense reflections	0.1518
Weighted residual factors for all reflections included in the refinement	0.1549
Goodness-of-fit parameter for all reflections included in the refinement	1.711
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
178543 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/49.	4064951.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4064951.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4064951.cif
33113	2012-02-11	../uploads/cif-deposit/cod/cif Adding structures of 4064951 via cif-deposit CGI script.	4064951.cif