Crystallography Open Database

Information card for entry 1508028

Preview

Coordinates	1508028.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H70 B F20 N2 P2
Calculated formula	C70 H70 B F20 N2 P2
Title of publication	Isolation of crystalline carbene-stabilized P(2)-radical cations and P(2)-dications.
Authors of publication	Back, Olivier; Donnadieu, Bruno; Parameswaran, Pattiyil; Frenking, Gernot; Bertrand, Guy
Journal of publication	Nature chemistry
Year of publication	2010
Journal volume	2
Journal issue	5
Pages of publication	369 - 373
a	13.2289 ± 0.0017 Å
b	23.185 ± 0.003 Å
c	23.482 ± 0.003 Å
α	90°
β	96.49 ± 0.002°
γ	90°
Cell volume	7156.1 ± 1.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.1209
Residual factor for significantly intense reflections	0.0593
Weighted residual factors for significantly intense reflections	0.1165
Weighted residual factors for all reflections included in the refinement	0.1364
Goodness-of-fit parameter for all reflections included in the refinement	0.943
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	1508028.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1508028.cif
62574	2012-07-09	cif/ Adding structures of 1508028 via cif-deposit CGI script.	1508028.cif