Crystallography Open Database

Information card for entry 1571318

Preview

Coordinates	1571318.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H84 Fe N4 P4 Si4 Sm
Calculated formula	C32 H84 Fe N4 P4 Si4 Sm
SMILES	[Sm](N([Si](C)(C)C)[Si](C)(C)C)([N]#[N][Fe]12([P](CC)(CC)CC[P]1(CC)CC)[P](CC)(CC)CC[P]2(CC)CC)N([Si](C)(C)C)[Si](C)(C)C
Title of publication	Iron promoted end-on dinitrogen-bridging in heterobimetallic complexes of uranium and lanthanides.
Authors of publication	Jori, Nadir; Moreno, Juan J.; Shivaraam, R. A. Keerthi; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Campos, Jesús; Mazzanti, Marinella
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	18
Pages of publication	6842 - 6852
a	20.9865 ± 0.0004 Å
b	19.1066 ± 0.0005 Å
c	25.5457 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	10243.3 ± 0.4 Å³
Cell temperature	200.15 K
Ambient diffraction temperature	200.15 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	0.0532
Residual factor for significantly intense reflections	0.0378
Weighted residual factors for significantly intense reflections	0.0905
Weighted residual factors for all reflections included in the refinement	0.0995
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
292915 (current)	2024-07-05	cif/ Updating files of 1571317, 1571318, 1571319, 1571320, 1571321, 1571322, 1571323, 1571324, 1571325 Original log message: Adding full bibliography for 1571317--1571325.cif.	1571318.cif
290732	2024-04-03	cif/ Adding structures of 1571317, 1571318, 1571319, 1571320, 1571321, 1571322, 1571323, 1571324, 1571325 via cif-deposit CGI script.	1571318.cif