Crystallography Open Database

Information card for entry 4322189

Preview

Coordinates	4322189.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H54 Mg N6 O4 S2
Calculated formula	C22 H54 Mg N6 O4 S2
SMILES	[Mg]123(OS(=[N]1C(C)(C)C)(NC(C)(C)C)=O)(OS(=[N]2C(C)(C)C)(NC(C)(C)C)=O)[N](C)(C)CC[N]3(C)C
Title of publication	Assembly of a Heterobimetallic Diazasulfate Cluster via an Li4O4 Ladder
Authors of publication	Justin K. Brask; Tristram Chivers; Masood Parvez; Glenn P. A. Yap
Journal of publication	Inorganic Chemistry
Year of publication	1999
Journal volume	38
Pages of publication	3594 - 3595
a	14.914 ± 0.003 Å
b	9.321 ± 0.002 Å
c	23.219 ± 0.004 Å
α	90°
β	97.35 ± 0.004°
γ	90°
Cell volume	3201.2 ± 1.1 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 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	0.1305
Residual factor for significantly intense reflections	0.0645
Weighted residual factors for significantly intense reflections	0.1514
Weighted residual factors for all reflections included in the refinement	0.1626
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
179324 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/21.	4322189.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4322189.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4322189.cif
20448	2011-06-07	../uploads/cif-deposit/cod/cif Adding structures of 4322189 via cif-deposit CGI script.	4322189.cif