Crystallography Open Database

Information card for entry 4133696

Preview

Coordinates	4133696.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C71.21 H64.71 In N6 O4
Calculated formula	C71.215 H64.71 In N6 O4
Title of publication	Organic Electron Delocalization Modulated by Ligand Charge States in [L<sub>2</sub>M]<sup> <i>n-</i> </sup> Complexes of Group 13 Ions.
Authors of publication	Arnold, Amela; Sherbow, Tobias J.; Sayler, Richard I.; Britt, R. David; Thompson, Emily J.; Muñoz, M Teresa; Fettinger, James C.; Berben, Louise A.
Journal of publication	Journal of the American Chemical Society
Year of publication	2019
Journal volume	141
Journal issue	40
Pages of publication	15792 - 15803
a	14.3365 ± 0.0003 Å
b	16.4783 ± 0.0003 Å
c	25.0463 ± 0.0004 Å
α	77.3649 ± 0.001°
β	89.2744 ± 0.0012°
γ	84.9715 ± 0.0013°
Cell volume	5751.32 ± 0.19 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.069
Residual factor for significantly intense reflections	0.0561
Weighted residual factors for significantly intense reflections	0.1471
Weighted residual factors for all reflections included in the refinement	0.1562
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
243419 (current)	2019-11-26	cif/ Adding structures of 4133688, 4133689, 4133690, 4133691, 4133692, 4133693, 4133694, 4133695, 4133696, 4133697, 4133698, 4133699 via cif-deposit CGI script.	4133696.cif