Crystallography Open Database

Information card for entry 4302472

Preview

Coordinates	4302472.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H37 B N6 S Zn
Calculated formula	C34 H37 B N6 S Zn
SMILES	[Zn]12(SC(C)(C)C)[n]3n(c(cc3c3ccccc3)C)[BH](n3[n]1c(c1ccccc1)cc3C)n1[n]2c(c2ccccc2)cc1C
Title of publication	Synthesis, Characterization, and Reactivity of Alkyldisulfanido Zinc Complexes
Authors of publication	Erwan Galardon; Alain Tomas; Mohamed Selkti; Pascal Roussel; Isabelle Artaud
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	5921 - 5927
a	8.854 ± 0.002 Å
b	16.944 ± 0.003 Å
c	22.06 ± 0.005 Å
α	90°
β	100.49 ± 0.02°
γ	90°
Cell volume	3254.2 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0664
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.1096
Weighted residual factors for all reflections included in the refinement	0.125
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
179062 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/24.	4302472.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4302472.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4302472.cif
1125	2010-04-25	cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition.	4302472.cif