Crystallography Open Database

Information card for entry 1569310

Preview

Coordinates	1569310.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C167 H113 Cl15 Mg3 N18 Sb2
Calculated formula	C167 H113 Cl15 Mg3 N18 Sb2
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	20.9301 ± 0.0008 Å
b	20.9301 ± 0.0008 Å
c	37.6852 ± 0.0017 Å
α	90°
β	90°
γ	120°
Cell volume	14297 ± 1 Å³
Cell temperature	219.9 ± 0.2 K
Ambient diffraction temperature	219.9 ± 0.2 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	0.0968
Residual factor for significantly intense reflections	0.0583
Weighted residual factors for significantly intense reflections	0.1567
Weighted residual factors for all reflections included in the refinement	0.1727
Goodness-of-fit parameter for all reflections included in the refinement	0.975
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.	1569310.cif