Crystallography Open Database

Information card for entry 1518756

Preview

Coordinates	1518756.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H79 Au B Cl N4 O4
Calculated formula	C53 H79 Au B Cl N4 O4
SMILES	[Au](=C1N(c2c(C(C)C)cccc2C(C)C)C=CN1c1c(C(C)C)cccc1C(C)C)[B](=C1OCC(N1C)(C)C)(=C1OCC(N1C)(C)C)c1ccccc1.[Cl-].O1CCCC1.O1CCCC1
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	15.396 ± 0.002 Å
b	14.4925 ± 0.0019 Å
c	24.966 ± 0.004 Å
α	90°
β	100.935 ± 0.006°
γ	90°
Cell volume	5469.4 ± 1.3 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 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	0.1174
Residual factor for significantly intense reflections	0.0756
Weighted residual factors for significantly intense reflections	0.1671
Weighted residual factors for all reflections included in the refinement	0.1768
Goodness-of-fit parameter for all reflections included in the refinement	1.126
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.	1518756.cif
138492	2015-06-07	cif/ Updating files of 1518755, 1518756, 1518757, 1518758, 1518759 Original log message: Adding full bibliography for 1518755--1518759.cif.	1518756.cif
132337	2015-02-24	cif/ Adding structures of 1518755, 1518756, 1518757, 1518758, 1518759 via cif-deposit CGI script.	1518756.cif