Crystallography Open Database

Information card for entry 4311164

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Coordinates	4311164.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H37 Cd2 N5 O12
Calculated formula	C35 H31 Cd2 N5 O12
Title of publication	Two- and Three-Dimensional Cadmium-Organic Frameworks with Trimesic Acid and 4,4'-Trimethylenedipyridine
Authors of publication	Filipe A. Almeida Paz; Jacek Klinowski
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	3882 - 3893
a	9.8976 ± 0.0002 Å
b	14.5822 ± 0.0004 Å
c	26.5732 ± 0.0007 Å
α	90°
β	91.93 ± 0.001°
γ	90°
Cell volume	3833.1 ± 0.17 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1401
Residual factor for significantly intense reflections	0.0928
Weighted residual factors for significantly intense reflections	0.1959
Weighted residual factors for all reflections included in the refinement	0.2103
Goodness-of-fit parameter for all reflections included in the refinement	1.24
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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