Crystallography Open Database

Information card for entry 4319707

4319706 << 4319707 >> 4319708

Preview

Coordinates	4319707.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	{NacNacGaS}2
Formula	C58 H82 Ga2 N4 S2
Calculated formula	C58 H82 Ga2 N4 S2
SMILES	C1(=CC(C)=[N]([Ga]2(N1c1c(cccc1C(C)C)C(C)C)S[Ga]1([N](=C(C=C(C)N1c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C)S2)c1c(cccc1C(C)C)C(C)C)C
Title of publication	Dimeric Gallium Oxide and Sulfide Species Stabilized by a Sterically Encumbered β-Diketiminate Ligand
Authors of publication	Ned J. Hardman; Philip P. Power
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	2474 - 2475
a	22.4257 ± 0.0009 Å
b	14.7953 ± 0.0006 Å
c	16.3518 ± 0.0006 Å
α	90°
β	90.368 ± 0.001°
γ	90°
Cell volume	5425.3 ± 0.4 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 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	0.0903
Residual factor for significantly intense reflections	0.0503
Weighted residual factors for significantly intense reflections	0.1198
Weighted residual factors for all reflections included in the refinement	0.1406
Goodness-of-fit parameter for all reflections included in the refinement	1.006
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
179277 (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 4/31/97.	4319707.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4319707.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4319707.cif
16508	2011-03-24	../uploads/cif-deposit/cod/cif Adding structures of 4319707 via cif-deposit CGI script.	4319707.cif