Crystallography Open Database

Information card for entry 4336423

Preview

Coordinates	4336423.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H40 B P
Calculated formula	C42 H40 B P
Title of publication	Peri-Substituted (Ace)Naphthylphosphinoboranes. (Frustrated) Lewis Pairs
Authors of publication	Jens Beckmann; Emanuel Hupf; Enno Lork; Stefan Mebs
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	11881 - 11888
a	8.568 ± 0.002 Å
b	20.405 ± 0.005 Å
c	19.616 ± 0.006 Å
α	90°
β	97.86 ± 0.01°
γ	90°
Cell volume	3397.2 ± 1.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
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	0.0755
Residual factor for significantly intense reflections	0.05
Weighted residual factors for significantly intense reflections	0.1179
Weighted residual factors for all reflections included in the refinement	0.1349
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
179467 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/64.	4336423.cif
102415	2014-02-20	cif/ Adding structures of 4336423 via cif-deposit CGI script.	4336423.cif