Crystallography Open Database

Information card for entry 7214518

Preview

Coordinates	7214518.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C90 H57 N15 O24 Zn3
Calculated formula	C90 H57 N15 O24 Zn3
Title of publication	Construction and modulation of structural diversity in acylamide-MOFs
Authors of publication	Huang, Shu-Yun; Li, Jian-Qiang; Liu, Shu-Juan; Ning, Yang; Meng, Li-Na; Li, Jin-Yuan; Luo, Ming-Biao; Luo, Feng
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	25
Pages of publication	5608
a	27.665 ± 0.011 Å
b	21.903 ± 0.007 Å
c	29.854 ± 0.009 Å
α	90°
β	90°
γ	90°
Cell volume	18090 ± 11 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.138
Residual factor for significantly intense reflections	0.0766
Weighted residual factors for significantly intense reflections	0.1852
Weighted residual factors for all reflections included in the refinement	0.2179
Goodness-of-fit parameter for all reflections included in the refinement	0.977
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
180476 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/45.	7214518.cif
116167	2014-06-07	cif/ Updating files of 7214516, 7214517, 7214518, 7214519, 7214520, 7214521, 7214522 Original log message: Adding full bibliography for 7214516--7214522.cif.	7214518.cif
110112	2014-04-18	cif/ Adding structures of 7214516, 7214517, 7214518, 7214519, 7214520, 7214521, 7214522 via cif-deposit CGI script.	7214518.cif