Crystallography Open Database

Information card for entry 7703938

Preview

Coordinates	7703938.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H32 Cu2 N8 O4
Calculated formula	C42 H32 Cu2 N8 O4
Title of publication	Exchange couplings and quantum phases in two dissimilar arrays of similar copper dinuclear units.
Authors of publication	Sartoris, Rosana P.; Santana, Vinicius T.; Freire, Eleonora; Baggio, Ricardo F.; Nascimento, Otaciro R.; Calvo, Rafael
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	16
Pages of publication	5228 - 5240
a	24.5552 ± 0.0017 Å
b	9.921 ± 0.0006 Å
c	19.9673 ± 0.0012 Å
α	90°
β	102.042 ± 0.002°
γ	90°
Cell volume	4757.2 ± 0.5 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0358
Residual factor for significantly intense reflections	0.0284
Weighted residual factors for significantly intense reflections	0.075
Weighted residual factors for all reflections included in the refinement	0.0788
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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
295835 (current)	2024-11-08	Corrected misspelt versions of the _atom_sites_solution_primary and _atom_sites_solution_secondary data names in entries 4517963, 7009550, 7213190, 7059783, 7241787, 7217107, 7703938.	7703938.cif
251624	2020-05-05	cif/ Updating files of 7703938 Original log message: Adding full bibliography for 7703938.cif.	7703938.cif
249993	2020-04-03	cif/ Adding structures of 7703938 via cif-deposit CGI script.	7703938.cif