Crystallography Open Database

Information card for entry 7003719

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Coordinates	7003719.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H34 Cd3 N2 O14
Calculated formula	C34 H34 Cd3 N2 O14
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	25.096 ± 0.0011 Å
b	10.7885 ± 0.0005 Å
c	17.5107 ± 0.0008 Å
α	90°
β	128.996 ± 0.003°
γ	90°
Cell volume	3684.6 ± 0.3 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	0.0282
Residual factor for significantly intense reflections	0.0255
Weighted residual factors for significantly intense reflections	0.0673
Weighted residual factors for all reflections included in the refinement	0.0691
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.6868 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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