Crystallography Open Database

Information card for entry 7037532

Preview

Coordinates	7037532.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H123 N3 O26 P6 Sb4 Se2
Calculated formula	C78 H123 N3 O26 P6 Sb4 Se2
SMILES	CC#N.[Sb]1234([OH][Sb]56(O[Sb]7([O]=[Se](O[Sb](O2)(OP(=O)(O1)C(C)(C)C)([O]=[Se](O7)c1ccccc1)(OP(=[O]4)(O)C(C)(C)C)c1ccc(C(C)C)cc1)c1ccccc1)(OP(=O)(O5)C(C)(C)C)(c1ccc(cc1)C(C)C)OP(=O)(O6)C(C)(C)C)(c1ccc(cc1)C(C)C)O3)c1ccc(cc1)C(C)C.P(=O)(O)(C(C)(C)C)O.P(=O)(O)(O)C(C)(C)C.C(#N)C.C(#N)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	24.238 ± 0.002 Å
b	27.209 ± 0.002 Å
c	30.177 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	19901 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0918
Residual factor for significantly intense reflections	0.0569
Weighted residual factors for significantly intense reflections	0.1419
Weighted residual factors for all reflections included in the refinement	0.17
Goodness-of-fit parameter for all reflections included in the refinement	1.098
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.	7037532.cif
170715	2015-12-04	cif/ Adding structures of 7037530, 7037531, 7037532, 7037533, 7037534 via cif-deposit CGI script.	7037532.cif