Crystallography Open Database

Information card for entry 7718272

Preview

Coordinates	7718272.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H76 I2 O14 P2 Te4
Calculated formula	C74 H76 I2 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	15.068 ± 0.0003 Å
b	17.3015 ± 0.0006 Å
c	19.5456 ± 0.0005 Å
α	78.761 ± 0.002°
β	81.495 ± 0.002°
γ	85.877 ± 0.002°
Cell volume	4938 ± 0.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 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	0.1155
Residual factor for significantly intense reflections	0.0549
Weighted residual factors for significantly intense reflections	0.1411
Weighted residual factors for all reflections included in the refinement	0.1716
Goodness-of-fit parameter for all reflections included in the refinement	0.98
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.	7718272.cif
298311	2025-03-07	cif/ Adding structures of 7718271, 7718272 via cif-deposit CGI script.	7718272.cif