Crystallography Open Database

Information card for entry 4343436

Preview

Coordinates	4343436.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H92 Lu2 N6 O4
Calculated formula	C76 H92 Lu2 N6 O4
SMILES	CC1(COC2=[N]1[Lu]13456(N(Cc7cccc8ccccc78)[Lu]89%10%11%12([N]7C(C)(C)COC=7C(C7=NC(C)(C)CO7)(C)[c]78[c]%12([c]%11([c]%10([c]97C)C)C)C)N6Cc6cccc7ccccc67)[c]6([c]5([c]4([c]3([c]16C)C)C)C)C2(C1=NC(C)(C)CO1)C)C.c1ccccc1.c1ccccc1
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	30.0993 ± 0.0011 Å
b	30.0993 ± 0.0011 Å
c	20.4326 ± 0.0011 Å
α	90°
β	90°
γ	120°
Cell volume	16031.2 ± 1.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0647
Residual factor for significantly intense reflections	0.0413
Weighted residual factors for significantly intense reflections	0.113
Weighted residual factors for all reflections included in the refinement	0.1348
Goodness-of-fit parameter for all reflections included in the refinement	1.133
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
264764 (current)	2021-05-03	cif/4: Fixing some Z values and formulae	4343436.cif
154618	2015-09-06	cif/ Updating files of 4343435, 4343436, 4343437 Original log message: Adding full bibliography for 4343435--4343437.cif.	4343436.cif
139645	2015-06-26	cif/ Adding structures of 4343436 via cif-deposit CGI script.	4343436.cif