Crystallography Open Database

Information card for entry 4331820

Preview

Coordinates	4331820.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	C42 H30 Co F12 N12, 2(Cl O4)
Formula	C42 H30 Cl2 Co F12 N12 O8
Calculated formula	C42 H30 Cl2 Co F12 N12 O8
Title of publication	Coordination Networks with Fluorinated Backbones
Authors of publication	Gao, Ye; Twamley, Brendan; Shreeve, Jean'ne M.
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	3
Pages of publication	1150 - 1155
a	13.6994 ± 0.001 Å
b	23.8843 ± 0.0017 Å
c	15.1402 ± 0.0011 Å
α	90°
β	103.591 ± 0.001°
γ	90°
Cell volume	4815.2 ± 0.6 Å³
Cell temperature	86 ± 2 K
Ambient diffraction temperature	86 ± 2 K
Number of distinct elements	7
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0622
Residual factor for significantly intense reflections	0.0504
Weighted residual factors for significantly intense reflections	0.1065
Weighted residual factors for all reflections included in the refinement	0.1114
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
179421 (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 4/33/18.	4331820.cif
97924	2014-01-29	cif/ Adding structures of 4331819, 4331820, 4331821, 4331822 via cif-deposit CGI script.	4331820.cif