Crystallography Open Database

Information card for entry 1564729

Preview

Coordinates	1564729.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H61 B10 N3 O4 S
Calculated formula	C35.9987 H60.9972 B10 N3 O4 S
Title of publication	The method for synthesis of 2-sulfonium closo-decaborate anions derivatives with exo-polyhedral aminogroups
Authors of publication	Kubasov, A.S.; Turishev, E.S.; Golubev, A.V.; Bykov, A.Yu.; Zhizhin, K.Yu.; Kuznetsov, N.T.
Journal of publication	Inorganica Chimica Acta
Year of publication	2020
Journal volume	507
Pages of publication	119589
a	14.9294 ± 0.0012 Å
b	17.0837 ± 0.0011 Å
c	20.114 ± 0.0015 Å
α	90°
β	111.673 ± 0.003°
γ	90°
Cell volume	4767.4 ± 0.6 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.23
Residual factor for significantly intense reflections	0.113
Weighted residual factors for significantly intense reflections	0.2983
Weighted residual factors for all reflections included in the refinement	0.3731
Goodness-of-fit parameter for all reflections included in the refinement	0.966
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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