Crystallography Open Database

Information card for entry 7037533

Preview

Coordinates	7037533.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H98 O26 P6 Sb4 Se2
Calculated formula	C64 H98 O26 P6 Sb4 Se2
SMILES	[Sb]1234([O]=[Se](c5ccccc5)O[Sb]56(OP(=O)(O[Sb]7([OH][Sb](OP(=O)(O2)C(C)(C)C)(OP(=O)(O1)C(C)(C)C)(O7)(O3)c1ccc(cc1)C)([O]=P(O5)(O)C(C)(C)C)(c1ccc(C)cc1)O6)C(C)(C)C)([O]=[Se](c1ccccc1)O4)c1ccc(cc1)C)c1ccc(C)cc1.P(=O)(O)(O)C(C)(C)C.P(=O)(O)(O)C(C)(C)C
Title of publication	Monoorganoantimony(v) phosphonates and phosphoselininates.
Authors of publication	Ugandhar, Uppara; Baskar, Viswanathan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	14
Pages of publication	6269 - 6274
a	13.9433 ± 0.0012 Å
b	15.4586 ± 0.0013 Å
c	21.2655 ± 0.0018 Å
α	82.213 ± 0.001°
β	83.783 ± 0.002°
γ	71.55 ± 0.001°
Cell volume	4297.5 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0463
Residual factor for significantly intense reflections	0.0359
Weighted residual factors for significantly intense reflections	0.0786
Weighted residual factors for all reflections included in the refinement	0.0825
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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
181740 (current)	2016-04-05	cif/ Updating files of 7037530, 7037531, 7037532, 7037533, 7037534 Original log message: Adding full bibliography for 7037530--7037534.cif.	7037533.cif
170715	2015-12-04	cif/ Adding structures of 7037530, 7037531, 7037532, 7037533, 7037534 via cif-deposit CGI script.	7037533.cif