Crystallography Open Database

Information card for entry 7027123

Preview

Coordinates	7027123.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H28 Cl N4 P2 Sb
Calculated formula	C20 H28 Cl N4 P2 Sb
SMILES	[Sb]12(Cl)[N]3(P(N(C(C)(C)C)P3N2c2ccccc2)N1c1ccccc1)C(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	11.0596 ± 0.0002 Å
b	24.5139 ± 0.0002 Å
c	18.1872 ± 0.0003 Å
α	90°
β	98.396 ± 0.001°
γ	90°
Cell volume	4877.96 ± 0.13 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0418
Residual factor for significantly intense reflections	0.0288
Weighted residual factors for significantly intense reflections	0.0655
Weighted residual factors for all reflections included in the refinement	0.0672
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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.	7027123.cif
95009	2014-01-28	cif/ Adding structures of 7027120, 7027121, 7027122, 7027123 via cif-deposit CGI script.	7027123.cif