Crystallography Open Database

Information card for entry 4325705

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Coordinates	4325705.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46.5 H66 N6 O9 P2 Sb3
Calculated formula	C36 H59 N6 O9 P2 Sb3
SMILES	[Sb]12(OP3(=O)O[Sb]4(OP(=O)(O[Sb]5(O3)[N](C)(Cc3c5c(CN(C)C)ccc3)C)O1)[N](Cc1c4c(CN(C)C)ccc1)(C)C)c1c(cccc1C[N]2(C)C)CN(C)C.O
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	12.212 ± 0.0008 Å
b	13.6871 ± 0.001 Å
c	18.49 ± 0.0009 Å
α	71.582 ± 0.007°
β	85.124 ± 0.006°
γ	66.051 ± 0.005°
Cell volume	2676.5 ± 0.3 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0417
Residual factor for significantly intense reflections	0.0309
Weighted residual factors for significantly intense reflections	0.064
Weighted residual factors for all reflections included in the refinement	0.0679
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4325705.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325705.cif
44778	2012-03-17	../uploads/cif-deposit/cod/cif Adding structures of 4325705 via cif-deposit CGI script.	4325705.cif