Crystallography Open Database

Information card for entry 7708152

Preview

Coordinates	7708152.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H29 P Se Si
Calculated formula	C27 H29 P Se Si
SMILES	[Se-][Si](C)(C)C.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Heavy silylchalcogenido lanthanates synthesis Ph<sub>4</sub>P[Cp<sub>3</sub>La-ESiMe<sub>3</sub>] (E = S, Se, and Te) <i>via</i> fluoride-induced demethylation of dimethylcarbonate to Ph<sub>4</sub>P[OCO<sub>2</sub>Me] key intermediate.
Authors of publication	Guschlbauer, Jannick; Vollgraff, Tobias; Xie, Xiulan; Fetoh, Ahmed; Sundermeyer, Jörg
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	37
Pages of publication	13103 - 13111
a	10.511 ± 0.002 Å
b	9.071 ± 0.002 Å
c	26.773 ± 0.005 Å
α	90°
β	99.08 ± 0.03°
γ	90°
Cell volume	2520.7 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0345
Residual factor for significantly intense reflections	0.0273
Weighted residual factors for significantly intense reflections	0.0588
Weighted residual factors for all reflections included in the refinement	0.0615
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
269706 (current)	2021-10-06	cif/ Updating files of 7708147, 7708148, 7708149, 7708150, 7708151, 7708152, 7708153, 7708154, 7708155 Original log message: Adding full bibliography for 7708147--7708155.cif.	7708152.cif
268272	2021-08-28	cif/ Adding structures of 7708147, 7708148, 7708149, 7708150, 7708151, 7708152, 7708153, 7708154, 7708155 via cif-deposit CGI script.	7708152.cif