Crystallography Open Database

Information card for entry 7028175

Preview

Coordinates	7028175.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H82 N6 O2 Rb Sb3
Calculated formula	C44 H82 N6 O2 Rb Sb3
Title of publication	Co-ordination of heavier alkali metals by polyimido antimony(III) ligands; syntheses and structures of [{Sb2(NC6H11)4}2M4] (M = Li or Na), Li[{(Me2N)Sb(μ-NC6H11)2}2Sb] and M[{(C6H11NH)Sb(μ-NC6H11)2}2Sb]·2thf (M = K or Rb)
Authors of publication	Bashall, Alan; Beswick, Michael A.; Harmer, Christopher N.; Hopkins, Alexander D.; McPartlin, Mary; Paver, Michael A.; Raithby, Paul R.; Wright, Dominic S.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	1998
Journal issue	8
Pages of publication	1389
a	22.733 ± 0.004 Å
b	11.2981 ± 0.0012 Å
c	21.075 ± 0.004 Å
α	90°
β	103.52 ± 0.02°
γ	90°
Cell volume	5262.9 ± 1.5 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
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	0.111
Residual factor for significantly intense reflections	0.0506
Weighted residual factors for all reflections	0.1214
Weighted residual factors for significantly intense reflections	0.0972
Goodness-of-fit parameter for all reflections	1.028
Goodness-of-fit parameter for significantly intense reflections	1.083
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179987 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/81.	7028175.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.	7028175.cif
99055	2014-01-30	cif/ Adding structures of 7028173, 7028174, 7028175 via cif-deposit CGI script.	7028175.cif