Crystallography Open Database

Information card for entry 4334760

Preview

Coordinates	4334760.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H24 F60 O28 Zn10
Calculated formula	C44 H24 F60 O28 Zn10
Title of publication	Inorganic and Organozinc Fluorocarboxylates: Synthesis, Structure and Materials Chemistry
Authors of publication	A. L. Johnson; A. J. Kingsley; G. Kociok-Köhn; K. C. Molloy; A. L. Sudlow
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	5515 - 5526
a	10.3599 ± 0.0004 Å
b	20.8103 ± 0.001 Å
c	19.4299 ± 0.001 Å
α	90°
β	97.699 ± 0.003°
γ	90°
Cell volume	4151.2 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1422
Residual factor for significantly intense reflections	0.0736
Weighted residual factors for significantly intense reflections	0.1702
Weighted residual factors for all reflections included in the refinement	0.2132
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179450 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/47.	4334760.cif
100633	2014-02-06	cif/ Adding structures of 4334760 via cif-deposit CGI script.	4334760.cif