Crystallography Open Database

Information card for entry 7027122

Preview

Coordinates	7027122.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H54 N5 P2 Sb Si2
Calculated formula	C22 H54 N5 P2 Sb Si2
SMILES	[Sb]12([N]3(P(N(C(C)(C)C)P3N2C(C)(C)C)N1C(C)(C)C)C(C)(C)C)N([Si](C)(C)C)[Si](C)(C)C
Title of publication	Polycyclic bis(amido)cyclodiphosphazane complexes of antimony(III) and bismuth(III): syntheses, molecular structures and solution behaviour
Authors of publication	Moser, Daniel F.; Schranz, Ingo; Gerrety, Michael C.; Stahl, Lothar; Staples, Richard J.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	1999
Journal issue	5
Pages of publication	751
a	17.975 ± 0.003 Å
b	10.874 ± 0.002 Å
c	17.765 ± 0.004 Å
α	90°
β	112.67 ± 0.01°
γ	90°
Cell volume	3204.1 ± 1.1 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	6
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	0.047
Residual factor for significantly intense reflections	0.0299
Weighted residual factors for significantly intense reflections	0.0605
Weighted residual factors for all reflections included in the refinement	0.0674
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
179977 (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 7/02/71.	7027122.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.	7027122.cif
95009	2014-01-28	cif/ Adding structures of 7027120, 7027121, 7027122, 7027123 via cif-deposit CGI script.	7027122.cif