Crystallography Open Database

Information card for entry 7713434

Preview

Coordinates	7713434.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H64 Cl4 O22 P4 Sb4 V2
Calculated formula	C44 H64 Cl4 O22 P4 Sb4 V2
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	9.9319 ± 0.0002 Å
b	24.0942 ± 0.0005 Å
c	13.538 ± 0.0002 Å
α	90°
β	99.005 ± 0.002°
γ	90°
Cell volume	3199.73 ± 0.11 Å³
Cell temperature	109 ± 3 K
Ambient diffraction temperature	109 ± 3 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0421
Residual factor for significantly intense reflections	0.0351
Weighted residual factors for significantly intense reflections	0.0868
Weighted residual factors for all reflections included in the refinement	0.0908
Goodness-of-fit parameter for all reflections included in the refinement	1.088
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
285165 (current)	2023-07-12	cif/ Adding structures of 7713434, 7713435, 7713436, 7713437, 7713438 via cif-deposit CGI script.	7713434.cif