Crystallography Open Database

Information card for entry 4133695

Preview

Coordinates	4133695.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H66 F9 In N6 Na0.5 O6 P1.5
Calculated formula	C72 H66 F9 In N6 Na0.5 O6 P1.5
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	13.7314 ± 0.0002 Å
b	32.7897 ± 0.0006 Å
c	16.3067 ± 0.0003 Å
α	90°
β	96.0838 ± 0.0012°
γ	90°
Cell volume	7300.7 ± 0.2 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	8
Space group number	12
Hermann-Mauguin space group symbol	I 1 2/m 1
Hall space group symbol	-I 2y
Residual factor for all reflections	0.0856
Residual factor for significantly intense reflections	0.0732
Weighted residual factors for significantly intense reflections	0.2068
Weighted residual factors for all reflections included in the refinement	0.2192
Goodness-of-fit parameter for all reflections included in the refinement	1.091
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.	4133695.cif