Crystallography Open Database

Information card for entry 7029328

Preview

Coordinates	7029328.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H41 B11 P2 Sn
Calculated formula	C31 H41 B11 P2 Sn
SMILES	[Sn]123([P](CCP(c4ccccc4)c4ccccc4)(c4ccccc4)c4ccccc4)[BH]456[C]789[C]%10%11(CCC7)[BH]7%123[BH]3%132[BH]214[BH]146[BH]659[BH]58%10[BH]8%11%12[BH]97%13[BH]321[BH]46589
Title of publication	Synthesis and structural characterization of 14-vertex germa-, stanna-, and plumba-carboranes.
Authors of publication	Zheng, Fangrui; Xie, Zuowei
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	13
Pages of publication	4986 - 4992
a	12.8513 ± 0.0007 Å
b	12.7936 ± 0.0006 Å
c	21.5982 ± 0.0011 Å
α	90°
β	103.502 ± 0.001°
γ	90°
Cell volume	3452.9 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0534
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.0841
Weighted residual factors for all reflections included in the refinement	0.094
Goodness-of-fit parameter for all reflections included in the refinement	0.988
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
179999 (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 7/02/93.	7029328.cif
107121	2014-03-17	cif/ Adding structures of 7029324, 7029325, 7029326, 7029327, 7029328 via cif-deposit CGI script.	7029328.cif