Crystallography Open Database

Information card for entry 4117583

Preview

Coordinates	4117583.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27.5 H26.5 In N1.5 O9.5
Calculated formula	C20 H10 In O8
Title of publication	Intrinsic Broad-Band White-Light Emission by a Tuned, Corrugated Metal-Organic Framework
Authors of publication	Dorina F. Sava; Lauren E. S. Rohwer; Mark A. Rodriguez; Tina M. Nenoff
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	3983 - 3986
a	33.975 ± 0.003 Å
b	33.975 ± 0.003 Å
c	33.975 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	39217 ± 6 Å³
Cell temperature	188 ± 2 K
Ambient diffraction temperature	188 ± 2 K
Number of distinct elements	5
Space group number	206
Hermann-Mauguin space group symbol	I a -3
Hall space group symbol	-I 2b 2c 3
Residual factor for all reflections	0.1118
Residual factor for significantly intense reflections	0.0691
Weighted residual factors for significantly intense reflections	0.2242
Weighted residual factors for all reflections included in the refinement	0.2664
Goodness-of-fit parameter for all reflections included in the refinement	0.924
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4117583.cif
74703	2013-03-03	cif/ Adding structures of 4117583 via cif-deposit CGI script.	4117583.cif