Crystallography Open Database

Information card for entry 1518758

Preview

Coordinates	1518758.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H39 B Cl N2 O2 Rh
Calculated formula	C26 H38.734 B Cl N2 O2 Rh
SMILES	[Rh]123(Cl)([CH]4CC[CH]1=[CH]2CC[CH]3=4)CN1C(OCC1(C)C)=[BH](=C1OCC(N1C)(C)C)c1ccccc1
Title of publication	Diverse reactivity of a tricoordinate organoboron L2PhB: (L = oxazol-2-ylidene) towards alkali metal, group 9 metal, and coinage metal precursors
Authors of publication	Kong, Lingbing; Ganguly, Rakesh; Li, Yongxin; Kinjo, Rei
Journal of publication	Chem. Sci.
Year of publication	2015
Journal volume	6
Journal issue	5
Pages of publication	2893
a	16.46 ± 0.002 Å
b	13.8072 ± 0.0016 Å
c	11.9483 ± 0.0018 Å
α	90°
β	104.628 ± 0.009°
γ	90°
Cell volume	2627.4 ± 0.6 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103.15 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1552
Residual factor for significantly intense reflections	0.0886
Weighted residual factors for significantly intense reflections	0.1695
Weighted residual factors for all reflections included in the refinement	0.1934
Goodness-of-fit parameter for all reflections included in the refinement	1.005
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1518758.cif
138492	2015-06-07	cif/ Updating files of 1518755, 1518756, 1518757, 1518758, 1518759 Original log message: Adding full bibliography for 1518755--1518759.cif.	1518758.cif
132337	2015-02-24	cif/ Adding structures of 1518755, 1518756, 1518757, 1518758, 1518759 via cif-deposit CGI script.	1518758.cif