Crystallography Open Database

Information card for entry 7112775

Preview

Coordinates	7112775.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H41 Li N3 O Sn Yb
Calculated formula	C37 H41 Li N3 O Sn Yb
SMILES	c12ccc(c[n]1[Li]13([n]4c(ccc(c4)C)[Sn]23(c2ccc(c[n]12)C)[Yb]123456789%10%11%12([cH]%13[cH]1[cH]2[cH]3[cH]4%13)([cH]1[cH]5[cH]6[cH]7[cH]81)[cH]1[cH]%12[cH]%11[cH]%10[cH]91)[O]1CCCC1)C
Title of publication	Tin‒lanthanoid donor‒acceptor bonds
Authors of publication	Zeckert, Kornelia; Zahn, Stefan; Kirchner, Barbara
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2010
Journal volume	46
Journal issue	15
Pages of publication	2638 - 2640
a	12.1128 ± 0.0004 Å
b	14.9906 ± 0.0005 Å
c	19.3565 ± 0.0006 Å
α	87.54 ± 0.003°
β	74.044 ± 0.003°
γ	87.79 ± 0.003°
Cell volume	3374.9 ± 0.2 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0942
Residual factor for significantly intense reflections	0.0491
Weighted residual factors for significantly intense reflections	0.1165
Weighted residual factors for all reflections included in the refinement	0.1255
Goodness-of-fit parameter for all reflections included in the refinement	0.866
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7105404
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
210570 (current)	2018-09-08	cif/7/ Updating bibliography in entries 7105404-7105405, 7112775-7112776. Marking entries 7112775-7112776 as duplicates of entries 7105404-7105405.	7112775.cif
180241	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/27.	7112775.cif
112084	2014-04-29	cif/ Adding structures of 7112775, 7112776 via cif-deposit CGI script.	7112775.cif