Crystallography Open Database

Information card for entry 7031225

Preview

Coordinates	7031225.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H38 Cu2 N4 O8
Calculated formula	C40 H38 Cu2 N4 O8
Title of publication	Crystal structures, CO2 adsorption, and dielectric properties of [Cu(ii)2(R-benzoate)4(pyrazine)]∞polymers (R = m-F, 2,3-F2, m-Cl, and m-CH3).
Authors of publication	Takahashi, Kiyonori; Hoshino, Norihisa; Takeda, Takashi; Noro, Shin-Ichiro; Nakamura, Takayoshi; Takeda, Sadamu; Akutagawa, Tomoyuki
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	24
Pages of publication	9081 - 9089
a	19.765 ± 0.003 Å
b	38.589 ± 0.006 Å
c	9.739 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	7428 ± 2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for significantly intense reflections	0.0215
Weighted residual factors for all reflections included in the refinement	0.0556
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180018 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/12.	7031225.cif
116062	2014-06-06	cif/ Adding structures of 7031223, 7031224, 7031225, 7031226 via cif-deposit CGI script.	7031225.cif