Crystallography Open Database

Information card for entry 7718271

Preview

Coordinates	7718271.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H78 Br2 Cl6 O14 P2 Te4
Calculated formula	C76 H78 Br2 Cl6 O14 P2 Te4
Title of publication	Functionalized organotellurium macrocycles: tuning their optical bandgap and investigation of their catalytic activity.
Authors of publication	Samuel, Calvin; Pramod, Velpula; V S, Swandhana; Steiner, Alexander; Baskar, Viswanathan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	14
Pages of publication	5747 - 5752
a	13.314 ± 0.0004 Å
b	23.7299 ± 0.0007 Å
c	14.1869 ± 0.0005 Å
α	90°
β	106.379 ± 0.003°
γ	90°
Cell volume	4300.3 ± 0.2 Å³
Cell temperature	297 ± 1 K
Ambient diffraction temperature	297 ± 1 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	0.0768
Residual factor for significantly intense reflections	0.0545
Weighted residual factors for significantly intense reflections	0.1312
Weighted residual factors for all reflections included in the refinement	0.1432
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
300895 (current)	2025-07-06	cif/ Updating files of 7718271, 7718272 Original log message: Adding full bibliography for 7718271--7718272.cif.	7718271.cif
298311	2025-03-07	cif/ Adding structures of 7718271, 7718272 via cif-deposit CGI script.	7718271.cif