Crystallography Open Database

Information card for entry 4325129

Preview

Coordinates	4325129.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H39 B Cl2 Mn N O3
Calculated formula	C46 H39 B Cl2 Mn N O3
Title of publication	Synthesis and Coordination Chemistry of 1-Cymantrenyl-2,3,4,5-tetraphenylborole
Authors of publication	Holger Braunschweig; Alexander Damme; Daniela Gamon; Thomas Kupfer; Krzysztof Radacki
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	4250 - 4252
a	13.1221 ± 0.0006 Å
b	15.7684 ± 0.0007 Å
c	18.738 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	3877.2 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0313
Residual factor for significantly intense reflections	0.0289
Weighted residual factors for significantly intense reflections	0.0761
Weighted residual factors for all reflections included in the refinement	0.0823
Goodness-of-fit parameter for all reflections included in the refinement	1.105
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
179354 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/51.	4325129.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325129.cif
43581	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4325129 via cif-deposit CGI script.	4325129.cif