Crystallography Open Database

Information card for entry 7703686

Preview

Coordinates	7703686.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60.5 H62 B Cl F24 N O3 P2 Rh
Calculated formula	C60.5 H62 B Cl F24 N O3 P2 Rh
Title of publication	Synthesis and rhodium complexes of macrocyclic PNP and PONOP pincer ligands.
Authors of publication	Hood, Thomas M.; Gyton, Matthew R.; Chaplin, Adrian B.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	7
Pages of publication	2077 - 2086
a	26.48866 ± 0.00018 Å
b	18.27115 ± 0.00017 Å
c	27.8172 ± 0.0002 Å
α	90°
β	93.5082 ± 0.0006°
γ	90°
Cell volume	13437.7 ± 0.18 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	9
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	0.0862
Residual factor for significantly intense reflections	0.0719
Weighted residual factors for significantly intense reflections	0.1919
Weighted residual factors for all reflections included in the refinement	0.2087
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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

Version history

Revision	Date	Message	Files
248777 (current)	2020-03-04	cif/ Adding structures of 7703683, 7703684, 7703685, 7703686, 7703687 via cif-deposit CGI script.	7703686.cif