Crystallography Open Database

Information card for entry 1515575

Preview

Coordinates	1515575.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C156 H84 N48 O68 Zn7
Calculated formula	C156 H84 N48 O68.04 Zn7
Title of publication	A flexible metal azolate framework with drastic luminescence response toward solvent vapors and carbon dioxide
Authors of publication	Qi, Xiao-Lin; Lin, Rui-Biao; Chen, Qing; Lin, Jian-Bin; Zhang, Jie-Peng; Chen, Xiao-Ming
Journal of publication	Chemical Science
Year of publication	2011
Journal volume	2
Journal issue	11
Pages of publication	2214
a	27.1704 ± 0.0019 Å
b	27.1704 ± 0.0019 Å
c	27.1704 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	20058 ± 2 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	5
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	0.098
Residual factor for significantly intense reflections	0.0615
Weighted residual factors for significantly intense reflections	0.137
Weighted residual factors for all reflections included in the refinement	0.1596
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1515575.cif
111868	2014-04-28	cif/ Adding structures of 1515575 via cif-deposit CGI script.	1515575.cif