Crystallography Open Database

Information card for entry 7063695

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Coordinates	7063695.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H30 I2 N4 Si
Calculated formula	C16 H30 I2.0004 N4 Si
Title of publication	Bis(N-heterocyclic carbene)s incorporating silicon in the ligand backbone
Authors of publication	Puerta Lombardi, Braulio M.; McCallum, Katia A.; Harrison, Alexander; Louwe, Devon S.; Espejo, Jayar; Bouzidi, Karima; Roesler, Roland
Journal of publication	New Journal of Chemistry
Year of publication	2025
Journal volume	49
Journal issue	16
Pages of publication	6554 - 6560
a	9.0436 ± 0.0015 Å
b	22.182 ± 0.004 Å
c	11.772 ± 0.002 Å
α	90°
β	102.171 ± 0.003°
γ	90°
Cell volume	2308.4 ± 0.7 Å³
Cell temperature	173.15 K
Ambient diffraction temperature	173.15 K
Number of distinct elements	5
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	0.0835
Residual factor for significantly intense reflections	0.0756
Weighted residual factors for significantly intense reflections	0.1879
Weighted residual factors for all reflections included in the refinement	0.1955
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301054 (current)	2025-07-06	cif/ Updating files of 7063694, 7063695, 7063696 Original log message: Adding full bibliography for 7063694--7063696.cif.	7063695.cif
298454	2025-03-15	cif/ Adding structures of 7063694, 7063695, 7063696 via cif-deposit CGI script.	7063695.cif