Crystallography Open Database

Information card for entry 4064148

Preview

Coordinates	4064148.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H39 F6 Ir N3 O P
Calculated formula	C34 H39 F6 Ir N3 O P
Title of publication	Open-Shell Organometallic [MII(dbcot(bislutidylamine)]2+Complexes (M = Rh, Ir): Unexpected Base-Assisted Reduction of the Metal Instead of Amine Ligand Deprotonation
Authors of publication	Dzik, Wojciech I.; Fuente Arruga, Luis; Siegler, Maxime A.; Spek, Anthony L.; Reek, Joost N. H.; de Bruin, Bas
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	7
Pages of publication	1902
a	9.2911 ± 0.0004 Å
b	20.4418 ± 0.0009 Å
c	17.3595 ± 0.0007 Å
α	90°
β	98.599 ± 0.002°
γ	90°
Cell volume	3260 ± 0.2 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0549
Residual factor for significantly intense reflections	0.0333
Weighted residual factors for significantly intense reflections	0.0539
Weighted residual factors for all reflections included in the refinement	0.0584
Goodness-of-fit parameter for all reflections included in the refinement	1.093
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
178535 (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 4/06/41.	4064148.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4064148.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4064148.cif
32801	2012-02-10	../uploads/cif-deposit/cod/cif Adding structures of 4064147, 4064148, 4064149, 4064150 via cif-deposit CGI script.	4064148.cif