Crystallography Open Database

Information card for entry 1542261

Preview

Coordinates	1542261.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C88.49 H103.18 Cl20.98 N12 O5.1 Pd6
Calculated formula	C88.488 H92.976 Cl20.976 N12 O5.0998 Pd6
Title of publication	Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures
Authors of publication	Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko
Journal of publication	Chem. Sci.
Year of publication	2016
Journal volume	7
Journal issue	3
Pages of publication	2217
a	31.4043 ± 0.0006 Å
b	31.4043 ± 0.0006 Å
c	31.4043 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	30971.9 ± 1 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	6
Space group number	199
Hermann-Mauguin space group symbol	I 21 3
Hall space group symbol	I 2b 2c 3
Residual factor for significantly intense reflections	0.0835
Weighted residual factors for all reflections included in the refinement	0.2102
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
177718 (current)	2016-03-05	cif/ Updating files of 1542253, 1542254, 1542255, 1542256, 1542257, 1542258, 1542259, 1542260, 1542261, 1542262 Original log message: Adding full bibliography for 1542253--1542262.cif.	1542261.cif
174358	2016-01-12	cif/ Adding structures of 1542253, 1542254, 1542255, 1542256, 1542257, 1542258, 1542259, 1542260, 1542261, 1542262 via cif-deposit CGI script.	1542261.cif