Crystallography Open Database

Information card for entry 7107835

Preview

Coordinates	7107835.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H21 N4 O8 Zn
Calculated formula	C33 H21 N4 O8 Zn
Title of publication	Functionalizing the pore wall of chiral porous metal-organic frameworks by distinct -H, -OH, -NH2, -NO2, -COOH shutters showing selective adsorption of CO2, tunable photoluminescence, and direct white-light emission
Authors of publication	Feng Luo; Ming-Sheng Wang; Pei-Xin Li; Guo-Cong Guo; Ming-Biao Luo; Gong-Ming Sun; Yu-Mei Song
Journal of publication	Chem.Commun.
Year of publication	2012
Journal volume	48
Pages of publication	5989
a	16.5097 ± 0.0002 Å
b	16.5097 ± 0.0002 Å
c	25.4661 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	6011.34 ± 0.16 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	181
Hermann-Mauguin space group symbol	P 64 2 2
Hall space group symbol	P 64 2 (0 0 2)
Residual factor for all reflections	0.0939
Residual factor for significantly intense reflections	0.0794
Weighted residual factors for significantly intense reflections	0.2169
Weighted residual factors for all reflections included in the refinement	0.2301
Goodness-of-fit parameter for all reflections included in the refinement	1.134
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
180182 (current)	2016-03-26	cif/7/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/10/78.	7107835.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7107835.cif
58002	2012-05-23	cif/ Adding structures of 7107827, 7107828, 7107829, 7107830, 7107831, 7107832, 7107833, 7107834, 7107835, 7107836 via cif-deposit CGI script.	7107835.cif