Crystallography Open Database

Information card for entry 4339394

Preview

Coordinates	4339394.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H83 Cl2 Li3 O11.5 Pr Si4
Calculated formula	C70 H83 Cl2 Li3 O11.5 Pr Si4
Title of publication	Structural varieties in heterobimetallic lanthanide disiloxanediolates: "inorganic metallocenes" versus in-plane metallacrowns.
Authors of publication	Giessmann, Stephan; Blaurock, Steffen; Lorenz, Volker; Edelmann, Frank T.
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	24
Pages of publication	10383 - 10389
a	14.0067 ± 0.0002 Å
b	22.8399 ± 0.0004 Å
c	23.0701 ± 0.0004 Å
α	90°
β	90.64°
γ	90°
Cell volume	7379.9 ± 0.2 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 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	0.0535
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.1162
Weighted residual factors for all reflections included in the refinement	0.1246
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4339394.cif
117304	2014-06-14	cif/ Adding structures of 4339394 via cif-deposit CGI script.	4339394.cif