Crystallography Open Database

Information card for entry 4322270

Preview

Coordinates	4322270.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H67 Er N8
Calculated formula	C43 H67 Er N8
Title of publication	Synthesis, Structure, and Molecular Orbital Studies of Yttrium, Erbium, and Lutetium Complexes Bearing η2-Pyrazolato Ligands: Development of a New Class of Precursors for Doping Semiconductors
Authors of publication	Dirk Pfeiffer; Bhekumusa J. Ximba; Louise M. Liable-Sands; Arnold L. Rheingold; Mary Jane Heeg; David M. Coleman; H. Bernhard Schlegel; Thomas F. Kuech; Charles H. Winter
Journal of publication	Inorganic Chemistry
Year of publication	1999
Journal volume	38
Pages of publication	4539 - 4548
a	11.9169 ± 0.0001 Å
b	19.573 ± 0.0002 Å
c	20.1065 ± 0.0002 Å
α	90°
β	101.791 ± 0.0007°
γ	90°
Cell volume	4590.87 ± 0.08 Å³
Cell temperature	218 ± 2 K
Ambient diffraction temperature	218 ± 2 K
Number of distinct elements	4
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	0.1231
Residual factor for significantly intense reflections	0.051
Weighted residual factors for significantly intense reflections	0.085
Weighted residual factors for all reflections included in the refinement	0.1044
Goodness-of-fit parameter for all reflections included in the refinement	0.982
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179325 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/22.	4322270.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4322270.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4322270.cif
20541	2011-06-11	../uploads/cif-deposit/cod/cif Adding structures of 4322270 via cif-deposit CGI script.	4322270.cif