Crystallography Open Database

Information card for entry 7716817

Preview

Coordinates	7716817.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60.5 H60.5 Cu2 N5.5 O15.5
Calculated formula	C44 H22 Cu2 O10
Title of publication	Structural diversity and solvent-induced transformations of a copper-based metal-organic framework with highly aromatic ligands.
Authors of publication	Edwards, Abigail; Elkins, Landon J.; Slebodnick, Carla; Wang, Jinglei; Zhang, Qiang; Makal, Tegan A.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	34
Pages of publication	14496 - 14504
a	19.1907 ± 0.0003 Å
b	14.79129 ± 0.00019 Å
c	22.8997 ± 0.0006 Å
α	90°
β	107.262 ± 0.002°
γ	90°
Cell volume	6207.4 ± 0.2 Å³
Cell temperature	100 ± 0.2 K
Ambient diffraction temperature	100 ± 0.2 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.1418
Residual factor for significantly intense reflections	0.1
Weighted residual factors for significantly intense reflections	0.2859
Weighted residual factors for all reflections included in the refinement	0.3179
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation probe	x-ray
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
294583 (current)	2024-09-06	cif/ Updating files of 7716813, 7716814, 7716815, 7716816, 7716817 Original log message: Adding full bibliography for 7716813--7716817.cif.	7716817.cif
294040	2024-08-08	cif/ Adding structures of 7716813, 7716814, 7716815, 7716816, 7716817 via cif-deposit CGI script.	7716817.cif