Crystallography Open Database

Information card for entry 7057330

Preview

Coordinates	7057330.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C90 H220 B22 O16 Sn10
Calculated formula	C90 H219 B22 O16 Sn10
Title of publication	Triorganotin(iv) cation-promoted dimethyl carbonate synthesis from CO2and methanol: solution and solid-state characterization of an unexpected diorganotin(iv)-oxo cluster
Authors of publication	Švec, Petr; Cattey, Hélène; Růžičková, Zdeňka; Holub, Josef; Růžička, Aleš; Plasseraud, Laurent
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	10
Pages of publication	8253
a	13.205 ± 0.002 Å
b	20.512 ± 0.003 Å
c	24.867 ± 0.0012 Å
α	88.883 ± 0.007°
β	88.07 ± 0.006°
γ	87.94 ± 0.011°
Cell volume	6726.2 ± 1.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.1288
Residual factor for significantly intense reflections	0.0823
Weighted residual factors for significantly intense reflections	0.2125
Weighted residual factors for all reflections included in the refinement	0.2803
Goodness-of-fit parameter for all reflections included in the refinement	1.163
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
230183 (current)	2019-11-17	cif/ Updating files of 7057329, 7057330, 7057331 Original log message: Adding full bibliography for 7057329--7057331.cif.	7057330.cif
207442	2018-04-23	cif/ Adding structures of 7057329, 7057330, 7057331 via cif-deposit CGI script.	7057330.cif