Crystallography Open Database

Information card for entry 7127267

Preview

Coordinates	7127267.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H64 N4 Si4 Sm
Calculated formula	C34 H64 N4 Si4 Sm
SMILES	[Sm](N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)=C1N(CCCN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
Title of publication	Ln(II) amido complexes coordinated by ring-expanded N-heterocyclic carbenes - promising catalysts for olefin hydrophosphination.
Authors of publication	Lapshin, Ivan V.; Cherkasov, Anton V.; Asachenko, Andrey F.; Trifonov, Alexander A.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	85
Pages of publication	12913 - 12916
a	15.5699 ± 0.0003 Å
b	11.47 ± 0.0002 Å
c	23.5397 ± 0.0005 Å
α	90°
β	94.58 ± 0.002°
γ	90°
Cell volume	4190.45 ± 0.14 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0634
Residual factor for significantly intense reflections	0.0429
Weighted residual factors for significantly intense reflections	0.0828
Weighted residual factors for all reflections included in the refinement	0.0891
Goodness-of-fit parameter for all reflections included in the refinement	1.073
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
260675 (current)	2021-01-07	cif/ Updating files of 7127266, 7127267 Original log message: Adding full bibliography for 7127266--7127267.cif.	7127267.cif
256477	2020-09-17	cif/ Adding structures of 7127266, 7127267 via cif-deposit CGI script.	7127267.cif