Crystallography Open Database

Information card for entry 4336654

Preview

Coordinates	4336654.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C308 H300 Ir8 N44 O64 Zn4
Calculated formula	C308 H300 Ir8 N44 O64 Zn4
Title of publication	An Intensely Luminescent Metal-Organic Framework Based on a Highly Light-Harvesting Dyclo-Metalated Iridium(III) Unit Showing Effective Detection of Explosives
Authors of publication	Lina Li; Shuquan Zhang; Liangjin Xu; Liang Han; Zhong-Ning Chen; Junhua Luo
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	12323 - 12325
a	17.196 ± 0.003 Å
b	12.963 ± 0.002 Å
c	32.342 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	7209 ± 2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0412
Residual factor for significantly intense reflections	0.0369
Weighted residual factors for significantly intense reflections	0.1014
Weighted residual factors for all reflections included in the refinement	0.1199
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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
179469 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/66.	4336654.cif
102661	2014-02-21	cif/ Adding structures of 4336654 via cif-deposit CGI script.	4336654.cif