Crystallography Open Database

Information card for entry 7115042

Preview

Coordinates	7115042.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H60 B2 Li O3 P
Calculated formula	C30 H60 B2 Li O3 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	9.4853 ± 0.0005 Å
b	11.0044 ± 0.0005 Å
c	32.8968 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	3433.8 ± 0.3 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	6
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	0.0671
Residual factor for significantly intense reflections	0.0505
Weighted residual factors for significantly intense reflections	0.1215
Weighted residual factors for all reflections included in the refinement	0.1299
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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.	7115042.cif
118500	2014-06-30	cif/ Adding structures of 7115042, 7115043 via cif-deposit CGI script.	7115042.cif