Crystallography Open Database

Information card for entry 4307793

Preview

Coordinates	4307793.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H69 B3 Bi2 N6
Calculated formula	C42 H69 B3 Bi2 N6
SMILES	B(N(C(C)(C)C)[Bi]1N(C(C)(C)C)B(N1C(C)(C)C)c1ccccc1)(c1ccccc1)N(C(C)(C)C)[Bi]1N(C(C)(C)C)B(N1C(C)(C)C)c1ccccc1
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	20.239 ± 0.004 Å
b	17.659 ± 0.004 Å
c	15.205 ± 0.003 Å
α	90°
β	120.23 ± 0.03°
γ	90°
Cell volume	4695 ± 2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0533
Residual factor for significantly intense reflections	0.0312
Weighted residual factors for significantly intense reflections	0.0574
Weighted residual factors for all reflections included in the refinement	0.0637
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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.	4307793.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4307793.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4307793.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4307793.cif