Crystallography Open Database

Information card for entry 1556417

Preview

Coordinates	1556417.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H29 B9 O4 Ru
Calculated formula	C16 H29 B9 O4 Ru
SMILES	[cH]12[cH]3[c]4([cH]5[cH]6[C]1(C(C)C)[Ru]178923456[C]23(C(=O)OC)[BH]456[C]%101(C(=O)OC)[BH]1%117[BH]7%129[BH]982[BH]287[BH]74([BH]5%101[BH]%11%1287)[BH]3692)C
Title of publication	On the Aqueous Solution Behavior of C-Substituted 3,1,2-Ruthenadicarbadodecaboranes
Authors of publication	Gozzi, M.; Schwarze, B.; Coburger, P.; Hey-Hawkins, E.
Journal of publication	Inorganics
Year of publication	2019
Journal volume	7
Pages of publication	91
a	9.331 ± 0.0002 Å
b	9.4169 ± 0.0002 Å
c	14.0477 ± 0.0003 Å
α	90.693 ± 0.002°
β	103.321 ± 0.002°
γ	113.757 ± 0.002°
Cell volume	1091.71 ± 0.05 Å³
Cell temperature	130 K
Ambient diffraction temperature	130 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0311
Residual factor for significantly intense reflections	0.0257
Weighted residual factors for significantly intense reflections	0.0581
Weighted residual factors for all reflections included in the refinement	0.0603
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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
244884 (current)	2019-12-03	cif/ Adding structures of 1556417 via cif-deposit CGI script.	1556417.cif