Crystallography Open Database

Information card for entry 7716442

Preview

Coordinates	7716442.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H38 B2 N12 O2 Sm
Calculated formula	C29 H38 B2 N12 O2 Sm
Title of publication	Activation and functionalisation of carbon dioxide by bis-tris(pyrazolyl)borate-supported divalent samarium and trivalent lanthanide silylamide complexes.
Authors of publication	Chowdhury, Tajrian; Wilson, Claire; Farnaby, Joy H.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	28
Pages of publication	11884 - 11894
a	13.9317 ± 0.0005 Å
b	18.7012 ± 0.0007 Å
c	13.5115 ± 0.0005 Å
α	90°
β	101.987 ± 0.001°
γ	90°
Cell volume	3443.5 ± 0.2 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
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	0.0277
Residual factor for significantly intense reflections	0.0226
Weighted residual factors for significantly intense reflections	0.055
Weighted residual factors for all reflections included in the refinement	0.0579
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
293824 (current)	2024-08-05	cif/ Updating files of 7716442, 7716443, 7716444, 7716445, 7716446, 7716447, 7716448 Original log message: Adding full bibliography for 7716442--7716448.cif.	7716442.cif
292557	2024-06-25	cif/ Adding structures of 7716442, 7716443, 7716444, 7716445, 7716446, 7716447, 7716448 via cif-deposit CGI script.	7716442.cif