Crystallography Open Database

Information card for entry 4346279

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Coordinates	4346279.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H32 Cu2 N2 O12
Calculated formula	C36 H32 Cu2 N2 O12
Title of publication	Structural flexibilities and gas adsorption properties of one-dimensional copper(II) polymers with paddle-wheel units by modification of benzoate ligands.
Authors of publication	Takahashi, Kiyonori; Hoshino, Norihisa; Takeda, Takashi; Noro, Shin-Ichiro; Nakamura, Takayoshi; Takeda, Sadamu; Akutagawa, Tomoyuki
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	19
Pages of publication	9423 - 9431
a	10.1765 ± 0.0003 Å
b	10.6471 ± 0.0003 Å
c	16.9602 ± 0.0005 Å
α	76.4174 ± 0.0013°
β	75.1468 ± 0.0014°
γ	77.0049 ± 0.0015°
Cell volume	1699.84 ± 0.09 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0973
Weighted residual factors for all reflections included in the refinement	0.3147
Goodness-of-fit parameter for all reflections included in the refinement	1.123
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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