Crystallography Open Database

Information card for entry 4338978

Preview

Coordinates	4338978.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C156 H154 B2 Cl2 F50 Ga2 N4 O4 Zn2
Calculated formula	C156 H156 B2 Cl2 F50 Ga2 N4 O4 Zn2
SMILES	[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F.C1(=CC(C)=[N]([Ga](N1c1c(C(C)C)cccc1C(C)C)([O]1CCCC1)[Zn]1([O]2CCCC2)[Cl][Zn]([Ga]2(N(C(=CC(C)=[N]2c2c(cccc2C(C)C)C(C)C)C)c2c(cccc2C(C)C)C(C)C)[O]2CCCC2)([O]2CCCC2)[Cl]1)c1c(cccc1C(C)C)C(C)C)C.Fc1ccccc1.c1ccccc1.[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F.Fc1ccccc1
Title of publication	Synthesis and structure of new compounds with Zn-Ga bonds: insertion of the gallium(I) bisimidinate Ga(DDP) into Zn-X (X = CH3, Cl) and the homoleptic complex cation [Zn(GaCp*)4]2+.
Authors of publication	Kempter, Andreas; Gemel, Christian; Cadenbach, Thomas; Fischer, Roland A.
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	22
Pages of publication	9481 - 9487
a	14.9889 ± 0.0015 Å
b	15.3966 ± 0.0015 Å
c	17.283 ± 0.002 Å
α	97.492 ± 0.009°
β	96.7 ± 0.009°
γ	95.653 ± 0.008°
Cell volume	3901.2 ± 0.7 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2158
Residual factor for significantly intense reflections	0.0532
Weighted residual factors for significantly intense reflections	0.0692
Weighted residual factors for all reflections included in the refinement	0.0836
Goodness-of-fit parameter for all reflections included in the refinement	0.568
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
179492 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/89.	4338978.cif
130086	2015-01-23	cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ \| xargs -i sh -c 'cif_fix_values {} \ \| cif_filter --add-cif-header {} \ \| sponge {}'	4338978.cif
117037	2014-06-14	cif/ Adding structures of 4338976, 4338977, 4338978, 4338979 via cif-deposit CGI script.	4338978.cif