Crystallography Open Database

Information card for entry 7021983

7021982 << 7021983 >> 7021984

Preview

Coordinates	7021983.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C122 H187 Cl Cu4 N54 O22 Si2
Calculated formula	C58 H32 Cl Cu4 N32 O4 Si2
Title of publication	Organosilicon linkers in metal organic frameworks: the tetrahedral tetrakis(4-tetrazolylphenyl)silane ligand.
Authors of publication	Timokhin, Ivan; Baguña Torres, Júlia; White, Andrew J. P.; Lickiss, Paul D.; Pettinari, Claudio; Davies, Robert P.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	38
Pages of publication	13806 - 13808
a	18.5153 ± 0.0003 Å
b	18.5153 ± 0.0003 Å
c	25.0576 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	8590.2 ± 0.3 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	7
Space group number	136
Hermann-Mauguin space group symbol	P 42/m n m
Hall space group symbol	-P 4n 2n
Residual factor for all reflections	0.0579
Residual factor for significantly intense reflections	0.0482
Weighted residual factors for significantly intense reflections	0.1331
Weighted residual factors for all reflections included in the refinement	0.1396
Goodness-of-fit parameter for all reflections included in the refinement	0.947
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
179924 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/19.	7021983.cif
88912	2013-10-09	cif/ Adding structures of 7021983 via cif-deposit CGI script.	7021983.cif