Crystallography Open Database

Information card for entry 1519637

1519636 << 1519637 >> 1519638

Preview

Coordinates	1519637.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C87.64 H68.04 I12 N24 S0.62 Zn6
Calculated formula	C87.61 H68.024 I12 N24 S0.622 Zn6
Title of publication	Absolute structure determination of compounds with axial and planar chirality using the crystalline sponge method
Authors of publication	Yoshioka, Shota; Inokuma, Yasuhide; Hoshino, Manabu; Sato, Takashi; Fujita, Makoto
Journal of publication	Chem. Sci.
Year of publication	2015
Journal volume	6
Journal issue	7
Pages of publication	3765
a	34.4391 ± 0.0011 Å
b	15.0959 ± 0.0003 Å
c	29.9556 ± 0.001 Å
α	90°
β	101.454 ± 0.003°
γ	90°
Cell volume	15263.4 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.1034
Residual factor for significantly intense reflections	0.0749
Weighted residual factors for significantly intense reflections	0.2307
Weighted residual factors for all reflections included in the refinement	0.2612
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
143340 (current)	2015-07-10	cif/ Updating files of 1519634, 1519635, 1519636, 1519637, 1519638, 1519639 Original log message: Adding full bibliography for 1519634--1519639.cif.	1519637.cif
136480	2015-05-14	cif/ Adding structures of 1519634, 1519635, 1519636, 1519637, 1519638, 1519639 via cif-deposit CGI script.	1519637.cif