Crystallography Open Database

Information card for entry 7720989

7720988 << 7720989 >> 7720990

Preview

Coordinates	7720989.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H40.15 Cd4 Cl4 N8 O6
Calculated formula	C44 H40.152 Cd4 Cl4 N8 O6
Title of publication	A novel Cd<sub>4</sub>O<sub>4</sub> cubane cluster-based complex and its bifunctional catalytic activity aiming for artificial photosynthesis.
Authors of publication	Sooraj, M.; Haritha, B.; Remello, S. N.; Manoj, E.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2026
Journal volume	55
Journal issue	20
Pages of publication	7936 - 7946
a	15.0495 ± 0.0005 Å
b	20.9665 ± 0.0007 Å
c	15.3836 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	4854.1 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0201
Residual factor for significantly intense reflections	0.0194
Weighted residual factors for significantly intense reflections	0.0517
Weighted residual factors for all reflections included in the refinement	0.0522
Goodness-of-fit parameter for all reflections included in the refinement	1.102
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
306404 (current)	2026-06-05	cif/ Updating files of 7720989 Original log message: Adding full bibliography for 7720989.cif.	7720989.cif
305884	2026-05-07	cif/ Adding structures of 7720989 via cif-deposit CGI script.	7720989.cif