Crystallography Open Database

Information card for entry 4310656

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Coordinates	4310656.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H22 Cl2 Cu N4 O8
Calculated formula	C9 H22 Cl2 Cu N4 O8
Title of publication	Functionalized Macrocycles from Functionalized Tetra-Amines: Pendent-Arm Macrocycles Derived from Dichloropivalic Acid
Authors of publication	Paul V. Bernhardt; Jack M. Harrowfield; Yang Kim; George A. Koutsantonis; Young Hoon Lee; Pierre Thuéry
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	1681 - 1688
a	7.13 ± 0.0003 Å
b	9.3351 ± 0.0005 Å
c	25.8486 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	1720.46 ± 0.15 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.063
Residual factor for significantly intense reflections	0.05
Weighted residual factors for significantly intense reflections	0.117
Weighted residual factors for all reflections included in the refinement	0.1244
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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