Crystallography Open Database

Information card for entry 1563398

Preview

Coordinates	1563398.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H20 Br0.94 Cu4 I3.06 N12
Calculated formula	C20 H20 Br0.92 Cu4 I3.064 N12
Title of publication	Synthesis and structural characterization of different topological coordination polymers based on tunable Cu4Br4−mIm secondary building units and macrocyclic azacalixaromatics
Authors of publication	Wang, Li-Xia; Zhao, Liang; Wang, De-Xian; Wang, Mei-Xiang
Journal of publication	Journal of Solid State Chemistry
Year of publication	2010
Journal volume	183
Journal issue	12
Pages of publication	3010 - 3016
a	23.1096 ± 0.001 Å
b	23.1096 ± 0.001 Å
c	23.1096 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	12341.8 ± 0.9 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	220
Hermann-Mauguin space group symbol	I -4 3 d
Hall space group symbol	I -4bd 2c 3
Residual factor for all reflections	0.0699
Residual factor for significantly intense reflections	0.0597
Weighted residual factors for significantly intense reflections	0.1486
Weighted residual factors for all reflections included in the refinement	0.1556
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
266431 (current)	2021-06-14	cif/ Adding structures of 1563395, 1563396, 1563397, 1563398, 1563399 via cif-deposit CGI script.	1563398.cif