Crystallography Open Database

Information card for entry 4088018

Preview

Coordinates	4088018.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H52 B10 O2 P3 Rh
Calculated formula	C32 H52 B10 O2 P3 Rh
SMILES	[Rh]12([P](O[C]3456[B]7892[C]2%10%11(O[P]1(C(C)C)C(C)C)[BH]137[BH]37%10[BH]%10%12%11[BH]%1182[BH]249[BH]4%10%11[BH]852[BH]613[BH]7%1248)(C(C)C)C(C)C)[P](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Metal- and Ligand-Centered Reactivity of meta-Carboranyl-Backbone Pincer Complexes of Rhodium
Authors of publication	Eleazer, Bennett J.; Smith, Mark D.; Peryshkov, Dmitry V.
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	2
Pages of publication	106
a	9.5351 ± 0.0005 Å
b	25.0255 ± 0.0013 Å
c	16.084 ± 0.0008 Å
α	90°
β	90.503 ± 0.002°
γ	90°
Cell volume	3837.8 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0255
Residual factor for significantly intense reflections	0.0222
Weighted residual factors for significantly intense reflections	0.0523
Weighted residual factors for all reflections included in the refinement	0.0536
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation probe	x-ray
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
237215 (current)	2019-11-24	cif/ Adding structures of 4088016, 4088017, 4088018, 4088019, 4088020 via cif-deposit CGI script.	4088018.cif