Crystallography Open Database

Information card for entry 4082154

Preview

Coordinates	4082154.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H75 Eu O9 Zn3
Calculated formula	C78 H75 Eu O9 Zn3
SMILES	[Eu]12345([O]6[Zn]([O]1c1ccc7ccccc7c1c1c7ccccc7ccc1[O]2[Zn]([O]3c1ccc2ccccc2c1c1c2ccccc2ccc1[O]4[Zn]([O]5c1ccc2ccccc2c1c1c2ccccc2ccc16)CC)([O]1CCCC1)CC)([O]1CCCC1)CC)[O]1CCCC1
Title of publication	Synthesis and Catalytic Activity of Heterobimetallic Rare Earth‒Zinc Ethyl BINOLate Analogues of Shibasaki’s Catalysts
Authors of publication	Nieto, Ismael; Wooten, Alfred J.; Robinson, Jerome R.; Carroll, Patrick J.; Schelter, Eric J.; Walsh, Patrick J.
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	24
Pages of publication	7431
a	11.9711 ± 0.0008 Å
b	22.8396 ± 0.0016 Å
c	12.191 ± 0.0009 Å
α	90°
β	91.279 ± 0.001°
γ	90°
Cell volume	3332.4 ± 0.4 Å³
Cell temperature	143 ± 1 K
Ambient diffraction temperature	143 ± 1 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0444
Residual factor for significantly intense reflections	0.0371
Weighted residual factors for significantly intense reflections	0.1005
Weighted residual factors for all reflections included in the refinement	0.1489
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178710 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/21.	4082154.cif
92199	2014-01-12	cif/ Adding structures of 4082152, 4082153, 4082154 via cif-deposit CGI script.	4082154.cif