Crystallography Open Database

Information card for entry 1545870

Preview

Coordinates	1545870.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C71.25 H57.96 Br1.92 I6 N12 Zn3
Calculated formula	C71.25 H57.963 Br1.923 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	35.8691 ± 0.0014 Å
b	14.8864 ± 0.0003 Å
c	31.2823 ± 0.0009 Å
α	90°
β	102.711 ± 0.004°
γ	90°
Cell volume	16294.2 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0915
Residual factor for significantly intense reflections	0.0752
Weighted residual factors for significantly intense reflections	0.2182
Weighted residual factors for all reflections included in the refinement	0.2359
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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.	1545870.cif