Crystallography Open Database

Information card for entry 7207162

7207161 << 7207162 >> 7207163

Preview

Coordinates	7207162.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C92 H127 N11 O24 Si2 Zn4
Calculated formula	C48.05 H28.032 O13.012 Si2 Zn4
Title of publication	An organosilicon hexacarboxylic acid and its use in the construction of a novel metal organic framework isoreticular to MOF-5
Authors of publication	Davies, Robert P.; Lickiss, Paul D.; Robertson, Karen; White, Andrew J. P.
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	3
Pages of publication	758
a	22.42158 ± 0.00019 Å
b	22.42158 ± 0.00019 Å
c	22.42158 ± 0.00019 Å
α	90°
β	90°
γ	90°
Cell volume	11271.9 ± 0.17 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	205
Hermann-Mauguin space group symbol	P a -3
Hall space group symbol	-P 2ac 2ab 3
Residual factor for all reflections	0.118
Residual factor for significantly intense reflections	0.1007
Weighted residual factors for significantly intense reflections	0.3406
Weighted residual factors for all reflections included in the refinement	0.3593
Goodness-of-fit parameter for all reflections included in the refinement	1.382
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180402 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/71.	7207162.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7207162.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7207162.cif
32493	2012-02-09	../uploads/cif-deposit/cod/cif Adding structures of 7207162 via cif-deposit CGI script.	7207162.cif