Crystallography Open Database

Information card for entry 7116041

Preview

Coordinates	7116041.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H24 Cu6 I6 In3 N6 O16
Calculated formula	C36 H24 Cu6 I6 In3 N6 O16
Title of publication	Heterometallic cluster-based indium-organic frameworks
Authors of publication	Jinjie Qian; Feilong Jiang; Kongzhao Su; Jie Pan; Zhenzhen Xue; Linfeng Liang; Partha Pratim Bag; Maochun Hong
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	15224
a	21.9173 ± 0.0004 Å
b	21.9173 ± 0.0004 Å
c	28.2685 ± 0.0004 Å
α	90°
β	90°
γ	120°
Cell volume	11760 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	192
Hermann-Mauguin space group symbol	P 6/m c c
Hall space group symbol	-P 6 2c
Residual factor for all reflections	0.1128
Residual factor for significantly intense reflections	0.0964
Weighted residual factors for significantly intense reflections	0.2853
Weighted residual factors for all reflections included in the refinement	0.3051
Goodness-of-fit parameter for all reflections included in the refinement	1.176
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180274 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/60.	7116041.cif
128813	2014-12-17	cif/ Adding structures of 7116041 via cif-deposit CGI script.	7116041.cif