Crystallography Open Database

Information card for entry 4119332

4119331 << 4119332 >> 4119333

Preview

Coordinates	4119332.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H34 B Cu Mn2 N2 O4
Calculated formula	C41 H34 B Cu Mn2 N2 O4
Title of publication	Ditopic Ambiphilicity of an Anionic Dimetalloborylene Complex
Authors of publication	Holger Braunschweig; Alexander Damme; Rian D. Dewhurst; Thomas Kramer; Sebastian Östreicher; Krzysztof Radacki; Alfredo Vargas
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	2313 - 2320
a	8.91 ± 0.002 Å
b	12.979 ± 0.003 Å
c	16.379 ± 0.004 Å
α	110.557 ± 0.007°
β	97.923 ± 0.007°
γ	90.063 ± 0.009°
Cell volume	1754.1 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0479
Residual factor for significantly intense reflections	0.041
Weighted residual factors for significantly intense reflections	0.1117
Weighted residual factors for all reflections included in the refinement	0.1179
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
178964 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/93.	4119332.cif
103471	2014-03-04	cif/ Adding structures of 4119332 via cif-deposit CGI script.	4119332.cif