Crystallography Open Database

Information card for entry 7713435

Preview

Coordinates	7713435.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H110 Cu2 N2 O22 P4 Sb4
Calculated formula	C68 H110 Cu2 N2 O22 P4 Sb4
Title of publication	Tunable bandgaps in self-assembled transition metal-incorporated heterometallic M<sub>2</sub>Sb<sub>4</sub> (M = V, Mn, Co, Ni, and Cu) oxo clusters.
Authors of publication	Navaneetha, Tokala; Ugandhar, Uppara; Samuel, Calvin; Guizouarn, Thierry; Pointillart, Fabrice; Raghunathan, Rajamani; Baskar, Viswanathan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	52
Journal issue	27
Pages of publication	9328 - 9336
a	12.8207 ± 0.0014 Å
b	13.3637 ± 0.0015 Å
c	13.7013 ± 0.0015 Å
α	99.588 ± 0.002°
β	93.106 ± 0.002°
γ	114.547 ± 0.002°
Cell volume	2085.5 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0352
Residual factor for significantly intense reflections	0.0311
Weighted residual factors for significantly intense reflections	0.0735
Weighted residual factors for all reflections included in the refinement	0.0757
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
285165 (current)	2023-07-12	cif/ Adding structures of 7713434, 7713435, 7713436, 7713437, 7713438 via cif-deposit CGI script.	7713435.cif