Crystallography Open Database

Information card for entry 4339395

Preview

Coordinates	4339395.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H69.29 Cl Li2 O11.64 Sc Si4
Calculated formula	C60 H69.196 Cl Li2 O11.598 Sc 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	17.0335 ± 0.0019 Å
b	20.649 ± 0.002 Å
c	35.785 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	12586 ± 2 Å³
Cell temperature	210 ± 2 K
Ambient diffraction temperature	210 ± 2 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0775
Residual factor for significantly intense reflections	0.0528
Weighted residual factors for significantly intense reflections	0.1263
Weighted residual factors for all reflections included in the refinement	0.14
Goodness-of-fit parameter for all reflections included in the refinement	1.009
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
179496 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/93.	4339395.cif
117305	2014-06-14	cif/ Adding structures of 4339395 via cif-deposit CGI script.	4339395.cif