Crystallography Open Database

Information card for entry 7054852

Preview

Coordinates	7054852.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H84 I2 La2 Si8
Calculated formula	C44 H84 I2 La2 Si8
SMILES	[c]12([cH]3[c]4([cH]5[cH]1[La]167892345([I][La]2345%10%11%12%13([c]%14([cH]2[c]3([cH]4[cH]5%14)[Si](C)(C)C)[Si](C)(C)C)([I]1)[c]1([cH]%10[cH]%11[c]%12([cH]%131)[Si](C)(C)C)[Si](C)(C)C)[c]1([cH]6[cH]7[c]8([cH]91)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C
Title of publication	A structural investigation of heteroleptic lanthanide substituted cyclopentadienyl complexes
Authors of publication	Ortu, Fabrizio; Fowler, Jonathan M.; Burton, Matthew; Formanuik, Alasdair; Mills, David P.
Journal of publication	New J. Chem.
Year of publication	2015
Journal volume	39
Journal issue	10
Pages of publication	7633
a	10.7116 ± 0.0019 Å
b	11.485 ± 0.003 Å
c	13.285 ± 0.003 Å
α	72.517 ± 0.019°
β	83.217 ± 0.015°
γ	79.146 ± 0.017°
Cell volume	1527.7 ± 0.6 Å³
Cell temperature	100.03 ± 0.11 K
Ambient diffraction temperature	100.03 ± 0.11 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1663
Residual factor for significantly intense reflections	0.0976
Weighted residual factors for significantly intense reflections	0.1642
Weighted residual factors for all reflections included in the refinement	0.2255
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
162066 (current)	2015-10-09	cif/ Updating files of 7054851, 7054852, 7054853, 7054854, 7054855, 7054856, 7054857, 7054858 Original log message: Adding full bibliography for 7054851--7054858.cif.	7054852.cif
136503	2015-05-14	cif/ Adding structures of 7054851, 7054852, 7054853, 7054854, 7054855, 7054856, 7054857, 7054858 via cif-deposit CGI script.	7054852.cif