Crystallography Open Database

Information card for entry 4084119

Preview

Coordinates	4084119.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H48 N4 P Tm
Calculated formula	C41 H48 N4 P Tm
SMILES	[C]12(=[C]3([C]4(=[C]5(P2[Tm]261345([n]1ccccc1c1[n]2cccc1)[n]1c(c2[n]6cccc2)cccc1)C(C)(C)C)C)C)C(C)(C)C.c1(ccccc1)C
Title of publication	Multiple One-Electron Transfers in Bipyridine Complexes of Bis(phospholyl) Thulium
Authors of publication	Jacquot, Léa; Xémard, Mathieu; Clavaguéra, Carine; Nocton, Grégory
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	15
Pages of publication	4100
a	10.7289 ± 0.0003 Å
b	19.5591 ± 0.0004 Å
c	17.042 ± 0.0005 Å
α	90°
β	92.742 ± 0.001°
γ	90°
Cell volume	3572.13 ± 0.16 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.0758
Residual factor for significantly intense reflections	0.0471
Weighted residual factors for significantly intense reflections	0.0876
Weighted residual factors for all reflections included in the refinement	0.1027
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation probe	x-ray
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
178730 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/41.	4084119.cif
123085	2014-09-06	cif/ Updating files of 4084117, 4084118, 4084119 Original log message: Adding full bibliography for 4084117--4084119.cif.	4084119.cif
120906	2014-07-30	cif/ Adding structures of 4084117, 4084118, 4084119 via cif-deposit CGI script.	4084119.cif