Crystallography Open Database

Information card for entry 7716361

Preview

Coordinates	7716361.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H75 Cl4 Cu3 N15 O19
Calculated formula	C43 H75 Cl4 Cu3 N15 O19
Title of publication	Chemical fixation of atmospheric CO<sub>2</sub> in tricopper(II)-carbonato complexes with tetradentate N-donor ligands: reactive intermediates, probable mechanisms, and catalytic and magneto-structural studies.
Authors of publication	Jana, Narayan Ch; Sun, Yu-Chen; Herchel, Radovan; Nandy, Rakhi; Brandão, Paula; Bagh, Bidraha; Wang, Xin-Yi; Panja, Anangamohan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	27
Pages of publication	11514 - 11530
a	18.3268 ± 0.0003 Å
b	18.3268 ± 0.0003 Å
c	18.3268 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	6155.45 ± 0.17 Å³
Cell temperature	100 ± 0.2 K
Ambient diffraction temperature	100 ± 0.2 K
Number of distinct elements	6
Space group number	198
Hermann-Mauguin space group symbol	P 21 3
Hall space group symbol	P 2ac 2ab 3
Residual factor for all reflections	0.0633
Residual factor for significantly intense reflections	0.0403
Weighted residual factors for significantly intense reflections	0.0876
Weighted residual factors for all reflections included in the refinement	0.0961
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
293847 (current)	2024-08-05	cif/ Updating files of 7716361, 7716362, 7716363, 7716364 Original log message: Adding full bibliography for 7716361--7716364.cif.	7716361.cif
292335	2024-06-13	cif/ Adding structures of 7716361, 7716362, 7716363, 7716364 via cif-deposit CGI script.	7716361.cif