Crystallography Open Database

Information card for entry 4307797

Preview

Coordinates	4307797.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H56 B2 Bi Li N4 O
Calculated formula	C32 H56 B2 Bi Li N4 O
SMILES	[Bi]123[N](C(C)(C)C)(B(N1C(C)(C)C)c1ccccc1)[Li]1([O](CC)CC)[N]2(B([N]31C(C)(C)C)c1ccccc1)C(C)(C)C
Title of publication	New Bonding Modes for Boraamidinate Ligands in Heavy Group 15 Complexes: Fluxional Behavior of the 1:2 Complexes, LiM[PhB(NtBu)2]2 (M = As, Sb, Bi)
Authors of publication	Jari Konu; Maravanji S. Balakrishna; Tristram Chivers; Thomas W. Swaddle
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	2627 - 2636
a	12.067 ± 0.002 Å
b	20.28 ± 0.004 Å
c	14.304 ± 0.003 Å
α	90°
β	94.44 ± 0.03°
γ	90°
Cell volume	3490 ± 1.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
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	0.033
Residual factor for significantly intense reflections	0.0274
Weighted residual factors for significantly intense reflections	0.0703
Weighted residual factors for all reflections included in the refinement	0.0737
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
179115 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/77.	4307797.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4307797.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4307797.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4307797.cif