Crystallography Open Database

Information card for entry 7707168

Preview

Coordinates	7707168.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Oz4b (Sreenath)
Formula	C30 H37 Cl2 Cu2 N4 O16
Calculated formula	C30 H37 Cl2 Cu2 N4 O16
SMILES	[Cu]123([O]4[Cu]56([N]7CC(C[N]6=Cc6cc(cc(C=[N]3CC(C[N]2=Cc2cc(cc(C=7)c2[O]15)C(=O)O)(C)C)c46)C(=O)O)(C)C)[OH2])OCC.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
Title of publication	A rare 4-fold interpenetrated metal-organic framework constructed from an anionic indium-based node and a cationic dicopper linker.
Authors of publication	Pappuru, Sreenath; Idrees, Karam B.; Chen, Zhijie; Shpasser, Dina; Gazit, Oz M.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	19
Pages of publication	6631 - 6636
a	11.982 ± 0.003 Å
b	16.944 ± 0.004 Å
c	19.081 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	3873.9 ± 1.7 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1014
Residual factor for significantly intense reflections	0.0707
Weighted residual factors for significantly intense reflections	0.1825
Weighted residual factors for all reflections included in the refinement	0.1952
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
266019 (current)	2021-06-05	cif/ Updating files of 7707167, 7707168 Original log message: Adding full bibliography for 7707167--7707168.cif.	7707168.cif
264382	2021-04-22	cif/ Adding structures of 7707167, 7707168 via cif-deposit CGI script.	7707168.cif