Crystallography Open Database

Information card for entry 7113797

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Coordinates	7113797.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H21 Cd2 N3 O8
Calculated formula	C31.5 H17 Cd2 N3 O8
Title of publication	A new type of three-dimensional framework constructed from dodecanuclear cadmium(II) macrocycles
Authors of publication	Wang, Ruihu; Hong, Maochun; Luo, Junhua; Cao, Rong; Weng, Jiabao
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2003
Journal issue	8
Pages of publication	1018 - 1019
a	39.6981 ± 0.0004 Å
b	39.6981 ± 0.0004 Å
c	9.5923 ± 0.0002 Å
α	90°
β	90°
γ	120°
Cell volume	13091.6 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0659
Residual factor for significantly intense reflections	0.0463
Weighted residual factors for significantly intense reflections	0.0947
Weighted residual factors for all reflections included in the refinement	0.1027
Goodness-of-fit parameter for all reflections included in the refinement	1.273
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7104066
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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