Crystallography Open Database

Information card for entry 4336356

Preview

Coordinates	4336356.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H5 Cu O7
Calculated formula	C9 H5 Cu O7
Title of publication	In Situ Generation of Functionality in a Reactive Haloalkane-Based Ligand for the Design of New Porous Coordination Polymers
Authors of publication	Prakash Kanoo; Ryotaro Matsuda; Hiroshi Sato; Liangchun Li; Hyung Joon Jeon; Susumu Kitagawa
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	10735 - 10737
a	18.268 ± 0.003 Å
b	18.268 ± 0.003 Å
c	30.195 ± 0.006 Å
α	90°
β	90°
γ	120°
Cell volume	8727 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	166
Hermann-Mauguin space group symbol	R -3 m :H
Hall space group symbol	-R 3 2"
Residual factor for all reflections	0.0857
Residual factor for significantly intense reflections	0.0784
Weighted residual factors for significantly intense reflections	0.2252
Weighted residual factors for all reflections included in the refinement	0.2345
Goodness-of-fit parameter for all reflections included in the refinement	1.123
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179466 (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 4/33/63.	4336356.cif
102334	2014-02-19	cif/ Adding structures of 4336356 via cif-deposit CGI script.	4336356.cif