Crystallography Open Database

Information card for entry 7716815

Preview

Coordinates	7716815.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59 H55 Cu2 N5 O15
Calculated formula	C44 H20 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	11.3494 ± 0.0003 Å
b	36.6729 ± 0.0003 Å
c	14.775 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	6149.58 ± 0.19 Å³
Cell temperature	99.98 ± 0.16 K
Ambient diffraction temperature	99.98 ± 0.16 K
Number of distinct elements	5
Space group number	66
Hermann-Mauguin space group symbol	C c c m
Hall space group symbol	-C 2 2c
Residual factor for all reflections	0.0957
Residual factor for significantly intense reflections	0.091
Weighted residual factors for significantly intense reflections	0.2891
Weighted residual factors for all reflections included in the refinement	0.2989
Goodness-of-fit parameter for all reflections included in the refinement	1.37
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	7716815.cif
294040	2024-08-08	cif/ Adding structures of 7716813, 7716814, 7716815, 7716816, 7716817 via cif-deposit CGI script.	7716815.cif