Crystallography Open Database

Information card for entry 7020716

7020715 << 7020716 >> 7020717

Preview

Coordinates	7020716.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H27 B11 N2 Sn
Calculated formula	C8 H27 B11 N2 Sn
SMILES	[Sn]1234[BH]567[B]891([N](=CC)CC)[BH]1%102[BH]2%11%12[BH]%13%14%15[BH]58([BH]57%14[BH]72%13[B]31%11([N](CC)=CC)[BH]4657)[BH]9%10%12%15
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	11.7586 ± 0.0006 Å
b	12.7204 ± 0.0006 Å
c	23.849 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	3567.2 ± 0.3 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
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	0.0476
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.1013
Weighted residual factors for all reflections included in the refinement	0.1046
Goodness-of-fit parameter for all reflections included in the refinement	1.142
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.	7020716.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7020716.cif
73648	2013-02-20	cif/ Adding structures of 7020716, 7020717, 7020718 via cif-deposit CGI script.	7020716.cif