Crystallography Open Database

Information card for entry 4339980

Preview

Coordinates	4339980.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H74 O14 Sb6 Si2
Calculated formula	C72 H72 O14 Sb6 Si2
SMILES	c1(ccccc1)[Sb]12(c3ccccc3)[O]3[Sb]45([O][Sb]3(O[Si](O4)(O[Sb]346([O]7[Sb](c8ccccc8)(c8ccccc8)(O4)O[Sb]7(O3)(O[Si](O6)(O5)C3CCCCC3)(c3ccccc3)c3ccccc3)c3ccccc3)C3CCCCC3)(O2)(c2ccccc2)c2ccccc2)(O1)c1ccccc1
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	12.728 ± 0.004 Å
b	13.015 ± 0.004 Å
c	13.544 ± 0.004 Å
α	108.884 ± 0.004°
β	116.854 ± 0.004°
γ	95.664 ± 0.004°
Cell volume	1812.5 ± 1 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0849
Residual factor for significantly intense reflections	0.0624
Weighted residual factors for significantly intense reflections	0.1358
Weighted residual factors for all reflections included in the refinement	0.1464
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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.	4339980.cif
121174	2014-08-05	cif/ Updating files of 4339979, 4339980, 4339981, 4339982 Original log message: Adding full bibliography for 4339979--4339982.cif.	4339980.cif
117813	2014-06-18	cif/ Adding structures of 4339979, 4339980, 4339981, 4339982 via cif-deposit CGI script.	4339980.cif