Crystallography Open Database

Information card for entry 7112924

Preview

Coordinates	7112924.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49.5 H36 N0 O19 Zn4
Calculated formula	C49.5 H36 O19 Zn4
Title of publication	Construction of a trigonal bipyramidal cage-based metal-organic framework with hydrophilic pore surface via flexible tetrapodal ligands.
Authors of publication	Liu, Tian-Fu; Lü, Jian; Lin, Xi; Cao, Rong
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	44
Pages of publication	8439 - 8441
a	26.918 ± 0.004 Å
b	26.918 ± 0.004 Å
c	86.67 ± 0.02 Å
α	90°
β	90°
γ	120°
Cell volume	54386 ± 17 Å³
Cell temperature	78 ± 2 K
Ambient diffraction temperature	78 ± 2 K
Number of distinct elements	5
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.1323
Residual factor for significantly intense reflections	0.0855
Weighted residual factors for significantly intense reflections	0.2446
Weighted residual factors for all reflections included in the refinement	0.285
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7112924.cif
112165	2014-04-30	cif/ Adding structures of 7112924 via cif-deposit CGI script.	7112924.cif