Crystallography Open Database

Information card for entry 7035854

Preview

Coordinates	7035854.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C116 H156 Cd5 N12 O40
Calculated formula	C84 H48 Cd5 N4 O26
Title of publication	A unique 3D metal-organic framework based on a 12-connected pentanuclear Cd(ii) cluster exhibiting proton conduction.
Authors of publication	Shen, Yu; Yang, Xu-Feng; Zhu, Hai-Bin; Zhao, Yue; Li, Wei-Si
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	33
Pages of publication	14741 - 14746
a	14.4144 ± 0.001 Å
b	23.3964 ± 0.0017 Å
c	15.5641 ± 0.0011 Å
α	90°
β	107.632 ± 0.001°
γ	90°
Cell volume	5002.3 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0824
Residual factor for significantly intense reflections	0.0764
Weighted residual factors for significantly intense reflections	0.1922
Weighted residual factors for all reflections included in the refinement	0.1947
Goodness-of-fit parameter for all reflections included in the refinement	1.188
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7035854.cif
161792	2015-10-09	cif/ Updating files of 7035854 Original log message: Adding full bibliography for 7035854.cif.	7035854.cif
152281	2015-07-18	cif/ Adding structures of 7035854 via cif-deposit CGI script.	7035854.cif