Crystallography Open Database

Information card for entry 7706527

Preview

Coordinates	7706527.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H75 B F24 N P2 Rh
Calculated formula	C68 H75 B F24 N P2 Rh
Title of publication	Synthesis and reactivity of iridium complexes of a macrocyclic PNP pincer ligand.
Authors of publication	Hood, Thomas M.; Chaplin, Adrian B.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	7
Pages of publication	2472 - 2482
a	25.6746 ± 0.0003 Å
b	14.06969 ± 0.00019 Å
c	40.5239 ± 0.0005 Å
α	90°
β	108.273 ± 0.0013°
γ	90°
Cell volume	13900.4 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0506
Residual factor for significantly intense reflections	0.0459
Weighted residual factors for significantly intense reflections	0.1152
Weighted residual factors for all reflections included in the refinement	0.12
Goodness-of-fit parameter for all reflections included in the refinement	1.006
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
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/7706527.html