Crystallography Open Database

Information card for entry 4078873

Preview

Coordinates	4078873.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H33 In N2 O Si
Calculated formula	C37 H33 In N2 O Si
SMILES	[In]12(C)(C)[N](=Cc3c(O2)c(cc(c3)C)[Si](c2ccccc2)(c2ccccc2)c2ccccc2)c2cccc3ccc[n]1c23
Title of publication	Meerwein‒Ponndorf‒Verley-Type Reduction Processes in Aluminum and Indium Isopropoxide Complexes of Imino-Phenolate Ligands
Authors of publication	Normand, Mickael; Kirillov, Evgeny; Roisnel, Thierry; Carpentier, Jean-François
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	15
Pages of publication	5511
a	17.1495 ± 0.0005 Å
b	11.1441 ± 0.0003 Å
c	18.2625 ± 0.0005 Å
α	90°
β	115.337 ± 0.001°
γ	90°
Cell volume	3154.51 ± 0.15 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0365
Residual factor for significantly intense reflections	0.0281
Weighted residual factors for significantly intense reflections	0.0689
Weighted residual factors for all reflections included in the refinement	0.074
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation probe	x-ray
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
178677 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/88.	4078873.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4078873.cif
66422	2012-09-09	cif/ Adding structures of 4078872, 4078873, 4078874, 4078875 via cif-deposit CGI script.	4078873.cif