Crystallography Open Database

Information card for entry 1518825

Preview

Coordinates	1518825.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	08
Formula	C46 H40 Au B3 Cl8 Mn2 O4
Calculated formula	C46 H40 Au B3 Cl8 Mn2 O4
Title of publication	Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments
Authors of publication	Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong
Journal of publication	Chem. Sci.
Year of publication	2015
Journal volume	6
Journal issue	5
Pages of publication	2989
a	18.435 ± 0.006 Å
b	33.798 ± 0.015 Å
c	17.288 ± 0.005 Å
α	90°
β	113.832 ± 0.018°
γ	90°
Cell volume	9853 ± 6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0626
Residual factor for significantly intense reflections	0.0462
Weighted residual factors for significantly intense reflections	0.0942
Weighted residual factors for all reflections included in the refinement	0.0999
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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.	1518825.cif
138495	2015-06-07	cif/ Updating files of 1518822, 1518823, 1518824, 1518825, 1518826, 1518827, 1518828, 1518829, 1518830, 1518831, 1518832 Original log message: Adding full bibliography for 1518822--1518832.cif.	1518825.cif
133800	2015-03-11	cif/ Adding structures of 1518822, 1518823, 1518824, 1518825, 1518826, 1518827, 1518828, 1518829, 1518830, 1518831, 1518832 via cif-deposit CGI script.	1518825.cif