Crystallography Open Database

Information card for entry 4132091

4132090 << 4132091 >> 4132092

Preview

Coordinates	4132091.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C676.5 H419.5 K7 N157.25 O164 P8
Calculated formula	C676.615 H419.537 K7 N157.436 O164 P8
Title of publication	Controlling the Recognition and Reactivity of Alkyl Ammonium Guests Using an Anion Coordination-Based Tetrahedral Cage.
Authors of publication	Zhang, Wenyao; Yang, Dong; Zhao, Jie; Hou, Lekai; Sessler, Jonathan L.; Yang, Xiao-Juan; Wu, Biao
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	15
Pages of publication	5248 - 5256
a	43.47 ± 0.003 Å
b	39.035 ± 0.003 Å
c	58.398 ± 0.005 Å
α	90°
β	98.34 ± 0.003°
γ	90°
Cell volume	98045 ± 13 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	152.99 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.2138
Residual factor for significantly intense reflections	0.1407
Weighted residual factors for significantly intense reflections	0.3616
Weighted residual factors for all reflections included in the refinement	0.4381
Goodness-of-fit parameter for all reflections included in the refinement	1.108
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
242128 (current)	2019-11-26	cif/ Adding structures of 4132089, 4132090, 4132091 via cif-deposit CGI script.	4132091.cif