Crystallography Open Database

Information card for entry 7717345

Preview

Coordinates	7717345.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H90 K2 N6 O2 P2
Calculated formula	C54 H90 K2 N6 O2 P2
Title of publication	Syntheses and structures of dimesitylphosphinite complexes of alkali metals and their catalytic activity in hydrophosphorylation reactions.
Authors of publication	Fener, Benjamin E.; Schüler, Philipp; Liebing, Phil; Görls, Helmar; Westerhausen, Matthias
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	54
Journal issue	1
Pages of publication	181 - 197
a	12.1372 ± 0.0002 Å
b	19.6662 ± 0.0003 Å
c	12.7854 ± 0.0002 Å
α	90°
β	106.428 ± 0.001°
γ	90°
Cell volume	2927.19 ± 0.08 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	6
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	0.0464
Residual factor for significantly intense reflections	0.0413
Weighted residual factors for significantly intense reflections	0.1048
Weighted residual factors for all reflections included in the refinement	0.1084
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
298236 (current)	2025-03-04	cif/ Updating files of 7717331, 7717332, 7717333, 7717334, 7717335, 7717336, 7717337, 7717338, 7717339, 7717340, 7717341, 7717342, 7717343, 7717344, 7717345, 7717346 Original log message: Adding full bibliography for 7717331--7717346.cif.	7717345.cif
295702	2024-11-01	cif/ Adding structures of 7717331, 7717332, 7717333, 7717334, 7717335, 7717336, 7717337, 7717338, 7717339, 7717340, 7717341, 7717342, 7717343, 7717344, 7717345, 7717346 via cif-deposit CGI script.	7717345.cif