Crystallography Open Database

Information card for entry 7706472

Preview

Coordinates	7706472.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H46 O2 Tl2
Calculated formula	C30 H46 O2 Tl2
SMILES	C(C([O]1[Tl][O](C(C(C)(C)C)(C(C)(C)C)c2ccccc2)[Tl]1)(c1ccccc1)C(C)(C)C)(C)(C)C
Title of publication	Synthesis, characterization, and alkoxide transfer reactivity of dimeric Tl<sub>2</sub>(OR)<sub>2</sub> complexes.
Authors of publication	Grass, Amanda; Kulathungage, Lakshani Wathsala; Wannipurage, Duleeka; Yousif, Maryam; Ward, Cassandra L.; Groysman, Stanislav
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	7
Pages of publication	2501 - 2509
a	8.0763 ± 0.0005 Å
b	12.3094 ± 0.0007 Å
c	15.4883 ± 0.0009 Å
α	101.592 ± 0.002°
β	94.016 ± 0.003°
γ	105.845 ± 0.002°
Cell volume	1438.24 ± 0.15 Å³
Cell temperature	100.1 K
Ambient diffraction temperature	100.1 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0314
Residual factor for significantly intense reflections	0.0262
Weighted residual factors for significantly intense reflections	0.0597
Weighted residual factors for all reflections included in the refinement	0.0621
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
262658 (current)	2021-03-05	cif/ Updating files of 7706467, 7706468, 7706469, 7706470, 7706471, 7706472, 7706473, 7706474 Original log message: Adding full bibliography for 7706467--7706474.cif.	7706472.cif
261133	2021-01-22	cif/ Adding structures of 7706467, 7706468, 7706469, 7706470, 7706471, 7706472, 7706473, 7706474 via cif-deposit CGI script.	7706472.cif