Crystallography Open Database

Information card for entry 4079532

Preview

Coordinates	4079532.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C108 H96 Cl18 F12 Ir2 N4 O2 P6
Calculated formula	C108 H96 Cl18 F12 Ir2 N4 O2 P6
Title of publication	N,N′-Dialkylation Catalyzed by Bimetallic Iridium Complexes Containing a Saturated Bis-N-Heterocyclic Carbene (NHC) Ligand
Authors of publication	Kuo, Hsin-Ya; Liu, Yi-Hong; Peng, Shie-Ming; Liu, Shiuh-Tzung
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	20
Pages of publication	7248
a	13.6471 ± 0.0002 Å
b	25.3253 ± 0.0003 Å
c	17.3337 ± 0.0002 Å
α	90°
β	99.907 ± 0.001°
γ	90°
Cell volume	5901.49 ± 0.13 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
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	0.0995
Residual factor for significantly intense reflections	0.0573
Weighted residual factors for significantly intense reflections	0.1342
Weighted residual factors for all reflections included in the refinement	0.1501
Goodness-of-fit parameter for all reflections included in the refinement	0.963
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
178684 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/95.	4079532.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4079532.cif
72467	2013-01-21	cif/ Adding structures of 4079531, 4079532 via cif-deposit CGI script.	4079532.cif