Crystallography Open Database

Information card for entry 1569311

Preview

Coordinates	1569311.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C164 H110 Bi2 Cl6 Mg3 N18
Calculated formula	C164 H110 Bi2 Cl6 Mg3 N18
Title of publication	Structural and dimensional control of porphyrin capsules using Group 15 tris(3-pyridyl) linkers.
Authors of publication	García-Romero, Álvaro; Miguel, Daniel; Wright, Dominic S.; Álvarez, Celedonio M; García-Rodríguez, Raúl
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	24
Pages of publication	6522 - 6530
a	20.9744 ± 0.0006 Å
b	20.9744 ± 0.0006 Å
c	37.5959 ± 0.0013 Å
α	90°
β	90°
γ	120°
Cell volume	14323.5 ± 0.8 Å³
Cell temperature	219.9 ± 0.4 K
Ambient diffraction temperature	219.9 ± 0.4 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.045
Residual factor for significantly intense reflections	0.0338
Weighted residual factors for significantly intense reflections	0.0799
Weighted residual factors for all reflections included in the refinement	0.0837
Goodness-of-fit parameter for all reflections included in the refinement	1.006
Diffraction radiation probe	x-ray
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
284567 (current)	2023-06-29	cif/ Adding structures of 1569310, 1569311, 1569312, 1569313, 1569314, 1569315, 1569316, 1569317, 1569318, 1569319, 1569320 via cif-deposit CGI script.	1569311.cif