Crystallography Open Database

Information card for entry 7041968

7041967 << 7041968 >> 7041969

Preview

Coordinates	7041968.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C89.5 H86.5 Cu N7.5 O19.5
Calculated formula	C89.72 H86.984 Cu N7.544 O19.544
Title of publication	Metal-organic frameworks utilising an interlocked, hexadentate linker containing a tetra-carboxylate axle and a bis(pyridine) wheel.
Authors of publication	Gholami, Ghazale; Baggi, Giorgio; Zhu, Kelong; Loeb, Stephen J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2017
Journal volume	46
Journal issue	8
Pages of publication	2462 - 2470
a	17.2427 ± 0.0006 Å
b	14.0544 ± 0.0005 Å
c	17.554 ± 0.0006 Å
α	90°
β	103.263 ± 0.002°
γ	90°
Cell volume	4140.5 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173.35 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1677
Residual factor for significantly intense reflections	0.1245
Weighted residual factors for significantly intense reflections	0.3433
Weighted residual factors for all reflections included in the refinement	0.3856
Goodness-of-fit parameter for all reflections included in the refinement	1.493
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
193785 (current)	2017-03-05	cif/ Updating files of 7041965, 7041966, 7041967, 7041968 Original log message: Adding full bibliography for 7041965--7041968.cif.	7041968.cif
191906	2017-02-08	cif/ Adding structures of 7041965, 7041966, 7041967, 7041968 via cif-deposit CGI script.	7041968.cif