Crystallography Open Database

Information card for entry 7041547

Preview

Coordinates	7041547.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H29 B10 Cl F N2 Rh
Calculated formula	C18 H29 B10 Cl F N2 Rh
SMILES	[Rh]12345(Cl)([N](=N[C]6789[CH]%10%11%12[BH]%13%146[BH]6%157[BH]7%168[B]819%10[BH]19%11[BH]%10%12%13[BH]%11%146[BH]6%157[BH]%1681[BH]9%10%116)c1ccc(F)cc1)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
Title of publication	Efficient synthesis of carborane azo derivatives and their reactivity.
Authors of publication	Gao, Yang; Lin, Yue-Jian; Han, Ying-Feng; Jin, Guo-Xin
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2017
Journal volume	46
Journal issue	5
Pages of publication	1585 - 1592
a	9.089 ± 0.004 Å
b	18.704 ± 0.008 Å
c	15.037 ± 0.006 Å
α	90°
β	105.323 ± 0.007°
γ	90°
Cell volume	2465.4 ± 1.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
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	0.0797
Residual factor for significantly intense reflections	0.0378
Weighted residual factors for significantly intense reflections	0.0704
Weighted residual factors for all reflections included in the refinement	0.0834
Goodness-of-fit parameter for all reflections included in the refinement	0.966
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
191665 (current)	2017-02-04	cif/ Updating files of 7041541, 7041542, 7041543, 7041544, 7041545, 7041546, 7041547 Original log message: Adding full bibliography for 7041541--7041547.cif.	7041547.cif
189347	2016-12-23	cif/ Adding structures of 7041541, 7041542, 7041543, 7041544, 7041545, 7041546, 7041547 via cif-deposit CGI script.	7041547.cif