Crystallography Open Database

Information card for entry 1545869

Preview

Coordinates	1545869.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C123 H112.85 I11.99 N24 O12.39 Zn5.99
Calculated formula	C123 H112.848 I11.99 N24 O12.384 Zn5.995
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	14.8303 ± 0.0005 Å
b	17.913 ± 0.0008 Å
c	29.8943 ± 0.0008 Å
α	96.803 ± 0.003°
β	93.488 ± 0.003°
γ	110.229 ± 0.004°
Cell volume	7355 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.098
Residual factor for significantly intense reflections	0.0546
Weighted residual factors for significantly intense reflections	0.1247
Weighted residual factors for all reflections included in the refinement	0.1379
Goodness-of-fit parameter for all reflections included in the refinement	0.866
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.	1545869.cif