Crystallography Open Database

Information card for entry 4102104

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Coordinates	4102104.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H24 Cu2 N2 O8
Calculated formula	C32 H24 Cu2 N2 O8
Title of publication	Crystal Transformation and Host Molecular Motions in CO2 Adsorption Process of a Metal Benzoate Pyrazine (MII= Rh, Cu)
Authors of publication	Satoshi Takamizawa; Ei-ichi Nataka; Takamasa Akatsuka; Ryosuke Miyake; Yoshiki Kakizaki; Hirotoshi Takeuchi; Goro Maruta; Sadamu Takeda
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	3783 - 3792
a	17.485 ± 0.003 Å
b	9.6876 ± 0.0019 Å
c	19.213 ± 0.004 Å
α	90°
β	98.432 ± 0.004°
γ	90°
Cell volume	3219.3 ± 1.1 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0827
Residual factor for significantly intense reflections	0.0589
Weighted residual factors for significantly intense reflections	0.1342
Weighted residual factors for all reflections included in the refinement	0.1462
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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