Crystallography Open Database

Information card for entry 4119132

4119131 << 4119132 >> 4119133

Preview

Coordinates	4119132.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H44 Cl Ir O P2
Calculated formula	C25 H43 Cl Ir O P2
Title of publication	Syntheses of PBP Pincer Iridium Complexes: A Supporting Boryl Ligand
Authors of publication	Segawa, Yasutomo; Yamashita, Makoto; Nozaki, Kyoko
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Journal issue	26
Pages of publication	9201 - 9203
a	16.185 ± 0.006 Å
b	16.185 ± 0.006 Å
c	20.335 ± 0.007 Å
α	90°
β	90°
γ	120°
Cell volume	4613 ± 3 Å³
Cell temperature	103.15 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	6
Space group number	179
Hermann-Mauguin space group symbol	P 65 2 2
Hall space group symbol	P 65 2 (0 0 1)
Residual factor for all reflections	0.0353
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for significantly intense reflections	0.0955
Weighted residual factors for all reflections included in the refinement	0.0958
Goodness-of-fit parameter for all reflections included in the refinement	1.275
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4119132.html