Crystallography Open Database

Information card for entry 7003716

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Coordinates	7003716.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H40 Cd3 N4 O16
Calculated formula	C36 H40 Cd3 N4 O16
Title of publication	Syntheses, structures and properties of cadmium benzenedicarboxylate metal‒organic frameworks
Authors of publication	Burrows, Andrew D.; Cassar, Kevin; Düren, Tina; Friend, Richard M. W.; Mahon, Mary F.; Rigby, Sean P.; Savarese, Teresa L.
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	18
Pages of publication	2465 - 2474
a	28.109 ± 0.0004 Å
b	9.193 ± 0.0001 Å
c	17.878 ± 0.0002 Å
α	90°
β	115.112 ± 0.001°
γ	90°
Cell volume	4183.12 ± 0.09 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0244
Residual factor for significantly intense reflections	0.0208
Weighted residual factors for significantly intense reflections	0.045
Weighted residual factors for all reflections included in the refinement	0.0463
Goodness-of-fit parameter for all reflections included in the refinement	1.096
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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