Crystallography Open Database

Information card for entry 7020718

7020717 << 7020718 >> 7020719

Preview

Coordinates	7020718.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H22 B11 N Sn
Calculated formula	C5 H22 B11 N Sn
SMILES	[N](CC)(=CC)[BH]1234[BH]567[BH]89%10[Sn]%11%12%13(C)[BH]258[BH]23%11[BH]351[BH]18%11[BH]69([BH]4731)[BH]%10%128[BH]%1325%11
Title of publication	B-N bond formation at stanna-closo-dodecaborate.
Authors of publication	Wütz, Tobias; Fleischhauer, Sebastian; Wesemann, Lars
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	3
Pages of publication	753 - 758
a	7.1933 ± 0.0004 Å
b	9.7884 ± 0.0006 Å
c	11.3155 ± 0.0007 Å
α	86.106 ± 0.005°
β	87.949 ± 0.005°
γ	69.275 ± 0.004°
Cell volume	743.4 ± 0.08 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	0.0315
Residual factor for significantly intense reflections	0.0282
Weighted residual factors for significantly intense reflections	0.0712
Weighted residual factors for all reflections included in the refinement	0.0725
Goodness-of-fit parameter for all reflections included in the refinement	1.149
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
179912 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/07.	7020718.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7020718.cif
73648	2013-02-20	cif/ Adding structures of 7020716, 7020717, 7020718 via cif-deposit CGI script.	7020718.cif