Crystallography Open Database

Information card for entry 1100720

Preview

Coordinates	1100720.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Cu2(CO3)(tpmc)(BPh4)2
Formula	C340.43 H348.62 B8 Cu8 N36.22 O20
Calculated formula	C340.432 H348.648 B8 Cu8 N36.216 O20
Title of publication	Concentration of Carbon Dioxide by Electrochemically Modulated Complexation with a Binuclear Copper Complex
Authors of publication	Aaron M. Appel; Rachel Newell; Daniel L. DuBois; M. Rakowski DuBois
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	3046 - 3056
a	9.4708 ± 0.0004 Å
b	25.913 ± 0.0011 Å
c	31.6182 ± 0.0013 Å
α	90°
β	101.79 ± 0.001°
γ	90°
Cell volume	7595.9 ± 0.6 Å³
Cell temperature	141 ± 2 K
Ambient diffraction temperature	141 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1448
Residual factor for significantly intense reflections	0.1092
Weighted residual factors for significantly intense reflections	0.2472
Weighted residual factors for all reflections included in the refinement	0.2644
Goodness-of-fit parameter for all reflections included in the refinement	1.159
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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