Crystallography Open Database

Information card for entry 7003717

Preview

Coordinates	7003717.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	10.127 ± 0.0001 Å
b	12.612 ± 0.0001 Å
c	16.679 ± 0.0002 Å
α	75.459 ± 0.001°
β	88.924 ± 0.001°
γ	87.271 ± 0.001°
Cell volume	2059.64 ± 0.04 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0332
Residual factor for significantly intense reflections	0.0265
Weighted residual factors for significantly intense reflections	0.0605
Weighted residual factors for all reflections included in the refinement	0.0635
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7003717.html