Crystallography Open Database

Information card for entry 7030026

Preview

Coordinates	7030026.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H96 Cl6 Cu8 N23 O36
Calculated formula	C84 H96 Cl6 Cu8 N23 O36
Title of publication	CO2 fixation by dicopper(ii) complexes in hypodentate framework of N8O2.
Authors of publication	Ho, Yi-Hsueh; Chang, Mu-Chieh; Yu, Kuo-Hsuan; Liu, Yi-Hung; Wang, Yu; Cheng, Yuan-Chung; Chen, Jwu-Ting
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	17
Pages of publication	6287 - 6290
a	12.8818 ± 0.0002 Å
b	14.6633 ± 0.0002 Å
c	15.9762 ± 0.0002 Å
α	72.159 ± 0.001°
β	79.431 ± 0.001°
γ	75.616 ± 0.001°
Cell volume	2763.66 ± 0.07 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0941
Residual factor for significantly intense reflections	0.0732
Weighted residual factors for significantly intense reflections	0.2365
Weighted residual factors for all reflections included in the refinement	0.2539
Goodness-of-fit parameter for all reflections included in the refinement	1.085
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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