Crystallography Open Database

Information card for entry 1518829

Preview

Coordinates	1518829.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	10
Formula	C53 H48 B3 Cl8 Cu Mn2 O4
Calculated formula	C53.007 H48.008 B3 Cl8 Cu 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	11.0743 ± 0.0018 Å
b	36.198 ± 0.009 Å
c	13.711 ± 0.004 Å
α	90°
β	93.21 ± 0.02°
γ	90°
Cell volume	5488 ± 2 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0821
Residual factor for significantly intense reflections	0.0687
Weighted residual factors for significantly intense reflections	0.1331
Weighted residual factors for all reflections included in the refinement	0.137
Goodness-of-fit parameter for all reflections included in the refinement	1.229
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.	1518829.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.	1518829.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.	1518829.cif