Crystallography Open Database

Information card for entry 4349357

Preview

Coordinates	4349357.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H84 I2 La2
Calculated formula	C52 H84 I2 La2
SMILES	[La]123456789([I][La]%10%11%12%13%14%15%16%17([I]1)([c]1([cH]%10[c]%11([cH]%12[cH]%131)C(C)(C)C)C(C)(C)C)[c]1([cH]%14[c]%15([cH]%16[cH]%171)C(C)(C)C)C(C)(C)C)([c]1([cH]2[c]3([cH]4[cH]51)C(C)(C)C)C(C)(C)C)[c]1([cH]9[cH]8[c]7([cH]61)C(C)(C)C)C(C)(C)C
Title of publication	Analysis of Lanthanide-Radical Magnetic Interactions in Ce(III) 2,2'-Bipyridyl Complexes.
Authors of publication	Ortu, Fabrizio; Liu, Jingjing; Burton, Matthew; Fowler, Jonathan M.; Formanuik, Alasdair; Boulon, Marie-Emmanuelle; Chilton, Nicholas F.; Mills, David P.
Journal of publication	Inorganic chemistry
Year of publication	2017
Journal volume	56
Journal issue	5
Pages of publication	2496 - 2505
a	10.5116 ± 0.0003 Å
b	11.3423 ± 0.0004 Å
c	23.8269 ± 0.0011 Å
α	90.556 ± 0.003°
β	98.291 ± 0.003°
γ	104.438 ± 0.003°
Cell volume	2719.22 ± 0.18 Å³
Cell temperature	120.02 ± 0.1 K
Ambient diffraction temperature	120.02 ± 0.1 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.082
Residual factor for significantly intense reflections	0.0658
Weighted residual factors for significantly intense reflections	0.1324
Weighted residual factors for all reflections included in the refinement	0.1388
Goodness-of-fit parameter for all reflections included in the refinement	1.297
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
233893 (current)	2019-11-23	cif/ Adding structures of 4349353, 4349354, 4349355, 4349356, 4349357, 4349358, 4349359, 4349360 via cif-deposit CGI script.	4349357.cif