Crystallography Open Database

Information card for entry 1545861

Preview

Coordinates	1545861.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61.47 H64.79 I6.01 N12 O4.06 Zn3
Calculated formula	C61.476 H64.792 I6 N12 O4.064 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	34.4746 ± 0.0008 Å
b	15.0255 ± 0.0003 Å
c	30.1535 ± 0.0009 Å
α	90°
β	99.681 ± 0.002°
γ	90°
Cell volume	15397 ± 0.7 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	0.0877
Residual factor for significantly intense reflections	0.0808
Weighted residual factors for significantly intense reflections	0.2051
Weighted residual factors for all reflections included in the refinement	0.2136
Goodness-of-fit parameter for all reflections included in the refinement	1.197
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.	1545861.cif