Crystallography Open Database

Information card for entry 7232409

Preview

Coordinates	7232409.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H48 Cu2 N4 O11
Calculated formula	C68 H48 Cu2 N4 O11
Title of publication	A quantitative transmetalation with a metal organic framework compound in a solid‒liquid interface reaction: synthesis, structure, kinetics, spectroscopy and electrochemistry
Authors of publication	Bommakanti, Suresh; Das, Samar K.
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	14
Pages of publication	2438
a	13.5686 ± 0.0004 Å
b	24.9419 ± 0.0007 Å
c	17.0814 ± 0.0006 Å
α	90°
β	91.796 ± 0.003°
γ	90°
Cell volume	5778 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1343
Residual factor for significantly intense reflections	0.0617
Weighted residual factors for significantly intense reflections	0.1338
Weighted residual factors for all reflections included in the refinement	0.1562
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
223643 (current)	2019-11-07	cif/ Updating files of 7232408, 7232409, 7232410 Original log message: Adding full bibliography for 7232408--7232410.cif.	7232409.cif
213733	2019-02-21	cif/ Adding structures of 7232408, 7232409, 7232410 via cif-deposit CGI script.	7232409.cif