Crystallography Open Database

Information card for entry 4313360

Preview

Coordinates	4313360.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H46 B2 Cl2 Ga2 N4
Calculated formula	C28 H46 B2 Cl2 Ga2 N4
SMILES	CC([N]12[Ga](Cl)([N]3(B(c4ccccc4)N(C(C)(C)C)[Ga]23Cl)C(C)(C)C)N(B1c1ccccc1)C(C)(C)C)(C)C
Title of publication	Syntheses and X-ray Structures of Monocyclic, Bicyclic, and Spirocyclic Gallium and Indium Boraamidinates
Authors of publication	Tristram Chivers; Chantall Fedorchuk; Gabriele Schatte; Masood Parvez
Journal of publication	Inorganic Chemistry
Year of publication	2003
Journal volume	42
Pages of publication	2084 - 2093
a	10.0624 ± 0.0002 Å
b	13.6143 ± 0.0003 Å
c	12.1416 ± 0.0003 Å
α	90°
β	104.38 ± 0.001°
γ	90°
Cell volume	1611.2 ± 0.06 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
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	0.0461
Residual factor for significantly intense reflections	0.0345
Weighted residual factors for significantly intense reflections	0.0857
Weighted residual factors for all reflections included in the refinement	0.0912
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
179191 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/33.	4313360.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4313360.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4313360.cif
6429	2011-01-11	../uploads/cif-deposit/cod/cif Adding structures of 4313360 via cif-deposit CGI script.	4313360.cif