Crystallography Open Database

Information card for entry 4122111

Preview

Coordinates	4122111.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H55 Al Fe N4 O8
Calculated formula	C51 H55 Al Fe N4 O8
Title of publication	An elusive hydridoaluminum(i) complex for facile C-h and C-o bond activation of ethers and access to its isolable hydridogallium(i) analogue: syntheses, structures, and theoretical studies.
Authors of publication	Tan, Gengwen; Szilvási, Tibor; Inoue, Shigeyoshi; Blom, Burgert; Driess, Matthias
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	27
Pages of publication	9732 - 9742
a	22.8641 ± 0.0002 Å
b	8.5709 ± 0.0001 Å
c	26.0274 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	5100.48 ± 0.08 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0573
Residual factor for significantly intense reflections	0.0539
Weighted residual factors for significantly intense reflections	0.1378
Weighted residual factors for all reflections included in the refinement	0.1415
Goodness-of-fit parameter for all reflections included in the refinement	0.849
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179023 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/21.	4122111.cif
121271	2014-08-05	cif/ Updating files of 4122109, 4122110, 4122111, 4122112, 4122113, 4122114 Original log message: Adding full bibliography for 4122109--4122114.cif.	4122111.cif
118250	2014-06-28	cif/ Adding structures of 4122109, 4122110, 4122111, 4122112, 4122113, 4122114 via cif-deposit CGI script.	4122111.cif