Crystallography Open Database

Information card for entry 7215226

Preview

Coordinates	7215226.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C124 H240 Mn2 N48 O32 Si
Calculated formula	C28 H16 Mn2 N16 O4 Si
Title of publication	Microporous metal‒organic frameworks built from rigid tetrahedral tetrakis(4-tetrazolylphenyl)silane connectors
Authors of publication	Timokhin, I.; White, A. J. P.; Lickiss, P. D.; Pettinari, C.; Davies, R. P.
Journal of publication	CrystEngComm
Year of publication	2014
a	36.7051 ± 0.0015 Å
b	36.7051 ± 0.0015 Å
c	36.7051 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	49451 ± 4 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	6
Space group number	230
Hermann-Mauguin space group symbol	I a -3 d
Hall space group symbol	-I 4bd 2c 3
Residual factor for all reflections	0.2798
Residual factor for significantly intense reflections	0.1447
Weighted residual factors for significantly intense reflections	0.3462
Weighted residual factors for all reflections included in the refinement	0.4057
Goodness-of-fit parameter for all reflections included in the refinement	0.906
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180483 (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 7/21/52.	7215226.cif
111460	2014-04-23	cif/ Adding structures of 7215225, 7215226, 7215227, 7215228 via cif-deposit CGI script.	7215226.cif