Crystallography Open Database

Information card for entry 4088019

Preview

Coordinates	4088019.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H42 B10 I O2 P2 Rh
Calculated formula	C20 H42 B10 I O2 P2 Rh
SMILES	[B]12345[BH]6789[BH]%10%11%12[BH]%13%14%15[BH]%16%171[BH]1%18%13[BH]%13%10%14[BH]%10%14%18[BH]4%171[C]59%14([BH]8%12%13%10)O[P]([Rh]37(c1ccccc1)(I)[P](O[C]26%11%15%16)(C(C)C)C(C)C)(C(C)C)C(C)C
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	16.5637 ± 0.0006 Å
b	14.4241 ± 0.0005 Å
c	12.5348 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2994.77 ± 0.19 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0215
Residual factor for significantly intense reflections	0.0182
Weighted residual factors for significantly intense reflections	0.0448
Weighted residual factors for all reflections included in the refinement	0.0463
Goodness-of-fit parameter for all reflections included in the refinement	1.077
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.	4088019.cif