Crystallography Open Database

Information card for entry 4063430

Preview

Coordinates	4063430.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H43 F6 Ir N3 P Ru
Calculated formula	C23 H18 F6 Ir N3 P Ru
Title of publication	Synthesis and Structure of a Novel Ruthenium Hydrido Bis(dihydrogen) Complex with 1,4,7-Trimethyl-1,4,7-triazacyclononane Ligand: A Useful Precursor for Synthesis of Heterometallic Complexes
Authors of publication	Shima, Takanori; Namura, Kyo; Kameo, Hajime; Kakuta, Satoshi; Suzuki, Hiroharu
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	2
Pages of publication	337
a	8.6647 ± 0.0002 Å
b	15.1351 ± 0.0004 Å
c	21.3172 ± 0.0006 Å
α	90°
β	92.483 ± 0.001°
γ	90°
Cell volume	2792.94 ± 0.13 Å³
Cell temperature	253 ± 2 K
Ambient diffraction temperature	253 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0452
Residual factor for significantly intense reflections	0.041
Weighted residual factors for significantly intense reflections	0.1145
Weighted residual factors for all reflections included in the refinement	0.1173
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178529 (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 4/06/34.	4063430.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4063430.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4063430.cif
19487	2011-05-11	../uploads/cif-deposit/cod/cif Adding structures of 4063426, 4063427, 4063428, 4063429, 4063430 via cif-deposit CGI script.	4063430.cif