Crystallography Open Database

Information card for entry 1515026

Preview

Coordinates	1515026.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	2-DMAP3
Formula	C57 H60 F6 Hg N6 O P Sb
Calculated formula	C57 H60 F6 Hg N6 O P Sb
SMILES	[Sb](c1c2c([Hg]3([n]4ccc(cc4)N(C)C)[n]4ccc(cc4)N(C)C)cccc2ccc1)([n]1ccc(cc1)N(C)C)(c1c2c3cccc2ccc1)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].O1CCCC1
Title of publication	Lewis acid enhancement by juxtaposition with an onium ion: the case of a mercury stibonium complex
Authors of publication	Lin, Tzu-Pin; Nelson, Ryan C.; Wu, Tianpin; Miller, Jeffrey T.; Gabbaï, François P.
Journal of publication	Chemical Science
Year of publication	2012
Journal volume	3
Journal issue	4
Pages of publication	1128
a	18.171 ± 0.005 Å
b	28.753 ± 0.008 Å
c	13.422 ± 0.007 Å
α	90°
β	130.397 ± 0.002°
γ	90°
Cell volume	5341 ± 3 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	8
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0286
Residual factor for significantly intense reflections	0.0267
Weighted residual factors for significantly intense reflections	0.0611
Weighted residual factors for all reflections included in the refinement	0.0621
Goodness-of-fit parameter for all reflections included in the refinement	1.007
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1515026.cif
110843	2014-04-20	cif/ Adding structures of 1515025, 1515026, 1515027, 1515028 via cif-deposit CGI script.	1515026.cif