Crystallography Open Database

Information card for entry 4331821

Preview

Coordinates	4331821.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Cd(NO3)2R2 polymer
Formula	C42 H38 Cd F12 N14 O10
Calculated formula	C42 H38 Cd F12 N14 O10
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	10.225 ± 0.0005 Å
b	11.5836 ± 0.0006 Å
c	12.1961 ± 0.0006 Å
α	103.944 ± 0.001°
β	103.595 ± 0.001°
γ	112.743 ± 0.001°
Cell volume	1202.9 ± 0.11 Å³
Cell temperature	87 ± 2 K
Ambient diffraction temperature	87 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0351
Residual factor for significantly intense reflections	0.0345
Weighted residual factors for significantly intense reflections	0.0988
Weighted residual factors for all reflections included in the refinement	0.0995
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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.	4331821.cif
97924	2014-01-29	cif/ Adding structures of 4331819, 4331820, 4331821, 4331822 via cif-deposit CGI script.	4331821.cif