Crystallography Open Database

Information card for entry 7115043

Preview

Coordinates	7115043.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H61 B3 Li O2 P
Calculated formula	C33 H61 B3 Li O2 P
Title of publication	Formation of the monoanion [ArP(BH3)(µ-BH2)2H]‒ with a symmetrically bridging hydride from the attempted synthesis of the dianion [ArP(BH3)3]2‒
Authors of publication	Rudzevich, Valentyn L.; Gornitzka, Heinz; Romanenko, Vadim D.; Bertrand, Guy
Journal of publication	Chemical Communications
Year of publication	2001
Journal issue	17
Pages of publication	1634
a	9.8395 ± 0.0008 Å
b	11.2345 ± 0.0009 Å
c	16.5435 ± 0.0013 Å
α	96.708 ± 0.002°
β	98.842 ± 0.002°
γ	91.449 ± 0.002°
Cell volume	1792.9 ± 0.2 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0611
Residual factor for significantly intense reflections	0.0499
Weighted residual factors for significantly intense reflections	0.1286
Weighted residual factors for all reflections included in the refinement	0.1379
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
180264 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/50.	7115043.cif
118500	2014-06-30	cif/ Adding structures of 7115042, 7115043 via cif-deposit CGI script.	7115043.cif