Crystallography Open Database

Information card for entry 4307792

Preview

Coordinates	4307792.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H69 B3 N6 Sb2
Calculated formula	C42 H69 B3 N6 Sb2
SMILES	B1(N(C(C)(C)C)[Sb](N1C(C)(C)C)N(B(c1ccccc1)N(C(C)(C)C)[Sb]1N(C(C)(C)C)B(N1C(C)(C)C)c1ccccc1)C(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	20.053 ± 0.004 Å
b	17.372 ± 0.004 Å
c	15.402 ± 0.003 Å
α	90°
β	119.15 ± 0.03°
γ	90°
Cell volume	4686 ± 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	0.0369
Residual factor for significantly intense reflections	0.0268
Weighted residual factors for significantly intense reflections	0.061
Weighted residual factors for all reflections included in the refinement	0.065
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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.	4307792.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4307792.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4307792.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4307792.cif