Crystallography Open Database

Information card for entry 4343435

Preview

Coordinates	4343435.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H45 Lu N2 O2
Calculated formula	C35 H45 Lu N2 O2
SMILES	[Lu]12345([c]6(C(C7=[N]5C(C)(C)CO7)(C5=NC(C)(C)CO5)C)[c]1([c]2(C)[c]3([c]46C)C)C)(Cc1ccccc1)Cc1ccccc1
Title of publication	Piano-Stool Lutetium Amido and Imido Compounds Supported by a Constrained Bis(oxazoline)cyclopentadienyl Ligand.
Authors of publication	Lampland, Nicole L.; Zhu, Jing; Hovey, Megan; Jana, Barun; Ellern, Arkady; Sadow, Aaron D.
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	14
Pages of publication	6938 - 6946
a	9.0519 ± 0.0014 Å
b	25.534 ± 0.004 Å
c	13.824 ± 0.002 Å
α	90°
β	98.129 ± 0.002°
γ	90°
Cell volume	3163.1 ± 0.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0367
Residual factor for significantly intense reflections	0.0255
Weighted residual factors for significantly intense reflections	0.0521
Weighted residual factors for all reflections included in the refinement	0.0559
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
154618 (current)	2015-09-06	cif/ Updating files of 4343435, 4343436, 4343437 Original log message: Adding full bibliography for 4343435--4343437.cif.	4343435.cif
139644	2015-06-26	cif/ Adding structures of 4343435 via cif-deposit CGI script.	4343435.cif