Crystallography Open Database

Information card for entry 4339397

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Coordinates	4339397.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H70 Cl Li2 O12 Pr Si4
Calculated formula	C60 H70 Cl Li2 O12 Pr Si4
SMILES	[Pr]1234(Cl)([O]5[Si](O[Si]([O]1[Li]1([O]2[Si](O[Si]([O]3[Li]25[O](C)CC[O]2C)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)[O](C)CC[O]1C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[O](C)CC[O]4C
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	17.5599 ± 0.0012 Å
b	17.3036 ± 0.0011 Å
c	21.4873 ± 0.0014 Å
α	90°
β	99.681 ± 0.002°
γ	90°
Cell volume	6435.9 ± 0.7 Å³
Cell temperature	210 ± 2 K
Ambient diffraction temperature	210 ± 2 K
Number of distinct elements	7
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	0.0434
Residual factor for significantly intense reflections	0.0352
Weighted residual factors for significantly intense reflections	0.0901
Weighted residual factors for all reflections included in the refinement	0.0978
Goodness-of-fit parameter for all reflections included in the refinement	0.995
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
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.	4339397.cif
117307	2014-06-14	cif/ Adding structures of 4339397 via cif-deposit CGI script.	4339397.cif