Crystallography Open Database

Information card for entry 4325706

Preview

Coordinates	4325706.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H67 Cl6 N6 O10 P2 Sb3
Calculated formula	C39 H67 Cl6 N6 O10 P2 Sb3
SMILES	c1(c(cccc1CN(C)C)CN(C)C)[Sb]1OP2(=O)O[Sb](c3c(cccc3CN(C)C)CN(C)C)OP(=O)(O1)O[Sb](O2)c1c(cccc1CN(C)C)CN(C)C.O.O.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl
Title of publication	NCN-Chelated Organoantimony(III) and Organobismuth(III) Phosphates: Synthesis and Solid-State and Solution Structures
Authors of publication	Tomáš Svoboda; Libor Dostál; Roman Jambor; Aleš Růžička; Robert Jirásko; Antonín Lyčka
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	6411 - 6413
a	20.437 ± 0.0008 Å
b	24.8581 ± 0.0019 Å
c	11.143 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	5660.9 ± 0.5 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	7
Space group number	55
Hermann-Mauguin space group symbol	P b a m
Hall space group symbol	-P 2 2ab
Residual factor for all reflections	0.0534
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.0973
Weighted residual factors for all reflections included in the refinement	0.1024
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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
179360 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/57.	4325706.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325706.cif
44779	2012-03-17	../uploads/cif-deposit/cod/cif Adding structures of 4325706 via cif-deposit CGI script.	4325706.cif