Crystallography Open Database

Information card for entry 7700689

Preview

Coordinates	7700689.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H54 B F4 Ir N4 O
Calculated formula	C34 H54 B F4 Ir N4 O
Title of publication	Cu(i), Ag(i), Ni(ii), Cr(iii) and Ir(i) complexes with tritopic N<sup>imine</sup>C<sup>NHC</sup>N<sup>amine</sup> pincer ligands and catalytic ethylene oligomerization.
Authors of publication	Ren, Xiaoyu; Wesolek, Marcel; Braunstein, Pierre
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	34
Pages of publication	12895 - 12909
a	10.1636 ± 0.0005 Å
b	10.9789 ± 0.0005 Å
c	17.072 ± 0.0009 Å
α	107.661 ± 0.001°
β	92.208 ± 0.001°
γ	100.578 ± 0.001°
Cell volume	1775.3 ± 0.15 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0297
Residual factor for significantly intense reflections	0.0257
Weighted residual factors for significantly intense reflections	0.0629
Weighted residual factors for all reflections included in the refinement	0.0647
Goodness-of-fit parameter for all reflections included in the refinement	1.092
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
224519 (current)	2019-11-08	cif/ Updating files of 7700685, 7700686, 7700687, 7700688, 7700689, 7700690, 7700691, 7700692 Original log message: Adding full bibliography for 7700685--7700692.cif.	7700689.cif
217312	2019-07-31	cif/ Adding structures of 7700685, 7700686, 7700687, 7700688, 7700689, 7700690, 7700691, 7700692 via cif-deposit CGI script.	7700689.cif