Crystallography Open Database

Information card for entry 1573621

Preview

Coordinates	1573621.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	CuNDPA-Cl_N2O2
Formula	C44 H48 Cl Cu N7 O3
Calculated formula	C40 H42 Cl Cu N5 O3
Title of publication	Self-sensitized Cu(ii)-complex catalyzed solar driven CO<sub>2</sub> reduction.
Authors of publication	Das, Soumadip; Roy, Aritra; Chakrabarti, Navonil; Mukhopadhyay, Narottam; Sarkar, Aniruddha; Sen Gupta, Sayam
Journal of publication	Chemical science
Year of publication	2025
Journal volume	16
Journal issue	7
Pages of publication	3114 - 3123
a	9.6787 ± 0.0003 Å
b	10.7885 ± 0.0004 Å
c	20.4415 ± 0.0008 Å
α	96.743 ± 0.003°
β	90.805 ± 0.003°
γ	99.865 ± 0.003°
Cell volume	2087.09 ± 0.13 Å³
Cell temperature	100 ± 0.2 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1406
Residual factor for significantly intense reflections	0.1256
Weighted residual factors for significantly intense reflections	0.3404
Weighted residual factors for all reflections included in the refinement	0.3535
Goodness-of-fit parameter for all reflections included in the refinement	1.4
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
298140 (current)	2025-03-04	cif/ Updating files of 1573620, 1573621 Original log message: Adding full bibliography for 1573620--1573621.cif.	1573621.cif
297244	2025-01-10	cif/ Adding structures of 1573620, 1573621 via cif-deposit CGI script.	1573621.cif