Crystallography Open Database

Information card for entry 7110887

Preview

Coordinates	7110887.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	99343/BL046
Formula	C20 H68 Ga4 N20
Calculated formula	C20 H68 Ga4 N20
SMILES	CN(N[Ga]12[NH](N(C)C)[Ga]([NH]1N(C)C)(N(N(C)C)[Ga]1([NH](N(C)C)[Ga]([NH]1N(C)C)(N2N(C)C)NN(C)C)NN(C)C)NN(C)C)C
Title of publication	1,1-Dimethylhydrazidogallane and a gallium hydrazide with two Ga2N2 rings bridged by two NNMe2 ligands
Authors of publication	Luo, Bing; Gladfelter, Wayne L.
Journal of publication	Chemical Communications
Year of publication	2000
Journal issue	10
Pages of publication	825
a	9.8972 ± 0.0007 Å
b	22.489 ± 0.002 Å
c	10.023 ± 0.0007 Å
α	90 ± 0.001°
β	112.824 ± 0.001°
γ	90 ± 0.001°
Cell volume	2056.2 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
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	0.0647
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for all reflections	0.0957
Weighted residual factors for significantly intense reflections	0.0887
Goodness-of-fit parameter for all reflections	0.975
Goodness-of-fit parameter for significantly intense reflections	1.089
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
198632 (current)	2017-07-11	cod/ (melanie@ameba.ibt.lt) Correcting the '_exptl_absorpt_correction_type' data item 'multi-scan' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i \| cif_filter --no-exclude-publication-details -h $i \| sponge $i A total of 524 files were changed.	7110887.cif
180222	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/08.	7110887.cif
134621	2015-04-02	The 'cif_fix_values' script with an option '--fix-only-weighting-scheme' and 'cif_filter' script were run over CIF files which included an incorrect value of the data item '_refine_ls_weighting_scheme'. Read the log for more details. There were more than 18k CIF files with values to modify. Usually these incorrect values include comment with formulas, but values of this data item must be an enumerator. The script creates new data item '_refine_ls_weighting_details' to store these comments with formulas, and writes the enumerator 'calc' as a value of data item '_refine_ls_weighting_scheme'. There exists some exceptions in the script.	7110887.cif
95996	2014-01-28	cif/ Adding structures of 7110886, 7110887 via cif-deposit CGI script.	7110887.cif