Crystallography Open Database

Information card for entry 4339981

Preview

Coordinates	4339981.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H57 N O9 Sb3 Si2
Calculated formula	C54 H55 N O9 Sb3 Si2
SMILES	[Sb]123([O]4[Sb]5(O1)(O[Sb]4(O2)(O[Si](O5)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(O[Si](O3)(c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)[O-].[NH+](CC)(CC)CC
Title of publication	Hexa- and trinuclear organoantimony oxo clusters stabilized by organosilanols.
Authors of publication	Kishore, Pilli V. V. N.; Baskar, Viswanathan
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	13
Pages of publication	6737 - 6742
a	18.9322 ± 0.0015 Å
b	28.524 ± 0.002 Å
c	24.7911 ± 0.0019 Å
α	90°
β	102.755 ± 0.001°
γ	90°
Cell volume	13057.4 ± 1.7 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 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	0.1002
Residual factor for significantly intense reflections	0.0853
Weighted residual factors for significantly intense reflections	0.2457
Weighted residual factors for all reflections included in the refinement	0.2594
Goodness-of-fit parameter for all reflections included in the refinement	1.095
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
179502 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/99.	4339981.cif
121174	2014-08-05	cif/ Updating files of 4339979, 4339980, 4339981, 4339982 Original log message: Adding full bibliography for 4339979--4339982.cif.	4339981.cif
117813	2014-06-18	cif/ Adding structures of 4339979, 4339980, 4339981, 4339982 via cif-deposit CGI script.	4339981.cif