Crystallography Open Database

Information card for entry 7032482

Preview

Coordinates	7032482.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H70 Li N5 O2 S Si2 Zn
Calculated formula	C30 H70 Li N5 O2 S Si2 Zn
SMILES	C(C)(C)([N]1=S2(=[N](C(C)(C)C)[Zn](N([Si](C)(C)C)[Si](C)(C)C)N2C(C)(C)C)N([Li]1([O]1CCCC1)[O]1CCCC1)C(C)(C)C)C
Title of publication	Transition metal complexes containing the S(NtBu)4(2-) tetraimidosulfate dianion.
Authors of publication	Matussek, Julia; Herbst-Irmer, Regine; Objartel, Ina; Stalke, Dietmar
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	42
Pages of publication	15944 - 15949
a	15.507 ± 0.003 Å
b	15.39 ± 0.003 Å
c	18.081 ± 0.003 Å
α	90°
β	113.09 ± 0.01°
γ	90°
Cell volume	3969.4 ± 1.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
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	0.0438
Residual factor for significantly intense reflections	0.0308
Weighted residual factors for significantly intense reflections	0.0742
Weighted residual factors for all reflections included in the refinement	0.0797
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
180030 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/24.	7032482.cif
126499	2014-11-06	cif/ Updating files of 7032480, 7032481, 7032482 Original log message: Adding full bibliography for 7032480--7032482.cif.	7032482.cif
123660	2014-09-10	cif/ Adding structures of 7032480, 7032481, 7032482 via cif-deposit CGI script.	7032482.cif