Crystallography Open Database

Information card for entry 4088020

Preview

Coordinates	4088020.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H45 B10 D6 I N O2 P2 Rh
Calculated formula	C28 H45 B10 D6 I N O2 P2 Rh
SMILES	I[RhH]12([P](O[C]3456[B]7892[C]2%10%11(O[P]1(C(C)C)C(C)C)[B]137(c3ccccc3)[BH]376[BH]6%125[BH]549[BH]482[BH]28%10[BH]654[BH]7%128[BH]%11132)(C(C)C)C(C)C)[N]#CC.c1([2H])c([2H])c([2H])c([2H])c([2H])c1[2H]
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	10.6949 ± 0.0005 Å
b	11.3884 ± 0.0006 Å
c	16.3856 ± 0.0008 Å
α	76.18 ± 0.002°
β	72.455 ± 0.002°
γ	80.535 ± 0.002°
Cell volume	1838.57 ± 0.16 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0431
Residual factor for significantly intense reflections	0.0273
Weighted residual factors for significantly intense reflections	0.0454
Weighted residual factors for all reflections included in the refinement	0.0485
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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.	4088020.cif