Crystallography Open Database

Information card for entry 1545858

Preview

Coordinates	1545858.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H84 I6 N12 Zn3
Calculated formula	C66 H84 I6 N12 Zn3
Title of publication	The crystalline sponge method updated
Authors of publication	Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto
Journal of publication	IUCrJ
Year of publication	2016
Journal volume	3
Journal issue	2
Pages of publication	139 - 151
a	34.376 ± 0.0007 Å
b	15.0832 ± 0.0003 Å
c	29.6413 ± 0.0009 Å
α	90°
β	100.675 ± 0.002°
γ	90°
Cell volume	15103 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.063
Residual factor for significantly intense reflections	0.0547
Weighted residual factors for significantly intense reflections	0.1515
Weighted residual factors for all reflections included in the refinement	0.1588
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
195748 (current)	2017-04-25	cif/ Adding structures of 1545858, 1545859, 1545860, 1545861, 1545862, 1545863, 1545864, 1545865, 1545866, 1545867, 1545868, 1545869, 1545870, 1545871 via cif-deposit CGI script.	1545858.cif