Crystallography Open Database

Information card for entry 4319706

4319705 << 4319706 >> 4319707

Preview

Coordinates	4319706.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	{NacNacGaO}2
Formula	C58 H82 Ga2 N4 O2
Calculated formula	C58 H82 Ga2 N4 O2
SMILES	C1(=CC(C)=[N]([Ga]23(N1c1c(cccc1C(C)C)C(C)C)O[Ga]13([N](=C(C=C(C)N1c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C)O2)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	13.7132 ± 0.0007 Å
b	13.7585 ± 0.0007 Å
c	14.223 ± 0.0007 Å
α	90°
β	107.278 ± 0.001°
γ	90°
Cell volume	2562.4 ± 0.2 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0367
Residual factor for significantly intense reflections	0.0285
Weighted residual factors for significantly intense reflections	0.0736
Weighted residual factors for all reflections included in the refinement	0.0775
Goodness-of-fit parameter for all reflections included in the refinement	0.97
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.	4319706.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4319706.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4319706.cif
17004	2011-03-31	cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif \| sort \| xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} \| > cif_filter --add-cif-header {} \| > sponge {} ) 2>&1 \| grep NOTE; then svn revert {}; > fi' ) &	4319706.cif
16507	2011-03-24	../uploads/cif-deposit/cod/cif Adding structures of 4319706 via cif-deposit CGI script.	4319706.cif