Crystallography Open Database

Information card for entry 4514026

Preview

Coordinates	4514026.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H53 N O2 Si Sn
Calculated formula	C45 H53 N O2 Si Sn
SMILES	[Sn]1([O]=CO1)N([Si](C(C)C)(C(C)C)C(C)C)c1c(cc(cc1C(c1ccccc1)c1ccccc1)C(C)C)C(c1ccccc1)c1ccccc1
Title of publication	Efficient Reduction of Carbon Dioxide to Methanol Equivalents Catalyzed by Two-Coordinate Amido‒Germanium(II) and −Tin(II) Hydride Complexes
Authors of publication	Hadlington, Terrance J.; Kefalidis, Christos E.; Maron, Laurent; Jones, Cameron
Journal of publication	ACS Catalysis
Year of publication	2017
Journal volume	7
Journal issue	3
Pages of publication	1853
a	9.99 ± 0.002 Å
b	11.36 ± 0.002 Å
c	18.89 ± 0.004 Å
α	86.59 ± 0.03°
β	85.63 ± 0.03°
γ	67.69 ± 0.03°
Cell volume	1976.4 ± 0.8 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.033
Residual factor for significantly intense reflections	0.0311
Weighted residual factors for significantly intense reflections	0.0783
Weighted residual factors for all reflections included in the refinement	0.0791
Goodness-of-fit parameter for all reflections included in the refinement	1.067
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
193399 (current)	2017-03-04	cif/ Updating files of 4514024, 4514025, 4514026 Original log message: Adding full bibliography for 4514024--4514026.cif.	4514026.cif
191948	2017-02-10	cif/ Adding structures of 4514026 via cif-deposit CGI script.	4514026.cif