Crystallography Open Database

Information card for entry 4119333

4119332 << 4119333 >> 4119334

Preview

Coordinates	4119333.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C71 H58 Au2 B2 Mn4 O8 P2
Calculated formula	C71 H58 Au2 B2 Mn4 O8 P2
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	8.0182 ± 0.0005 Å
b	11.7305 ± 0.0007 Å
c	18.013 ± 0.0011 Å
α	101.789 ± 0.002°
β	91.958 ± 0.002°
γ	104.741 ± 0.002°
Cell volume	1597.28 ± 0.17 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	0.0212
Residual factor for significantly intense reflections	0.0203
Weighted residual factors for significantly intense reflections	0.0493
Weighted residual factors for all reflections included in the refinement	0.0498
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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.	4119333.cif
103472	2014-03-04	cif/ Adding structures of 4119333 via cif-deposit CGI script.	4119333.cif