Crystallography Open Database

Information card for entry 4319113

4319112 << 4319113 >> 4319114

Preview

Coordinates	4319113.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H30 Er N5 Se
Calculated formula	C33 H30 Er N5 Se
Title of publication	Heteroleptic Lanthanide Compounds with Chalcogenolate Ligands: Reduction of PhNNPh/PhEEPh (E = Se or Te) Mixtures with Ln (Ln = Ho, Er, Tm, Yb). Thermolysis Can Give LnN or LnE
Authors of publication	Anna Kornienko; Deborah Freedman; Thomas J. Emge; John G. Brennan
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	140 - 145
a	11.864 ± 0.003 Å
b	14.188 ± 0.002 Å
c	17.624 ± 0.002 Å
α	90 ± 0.01°
β	91.62 ± 0.02°
γ	90 ± 0.02°
Cell volume	2965.4 ± 0.9 Å³
Cell temperature	153 ± 5 K
Ambient diffraction temperature	153 ± 5 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0396
Residual factor for significantly intense reflections	0.0332
Weighted residual factors for significantly intense reflections	0.0819
Weighted residual factors for all reflections included in the refinement	0.0839
Goodness-of-fit parameter for all reflections included in the refinement	0.997
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
179271 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/91.	4319113.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4319113.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4319113.cif
15845	2011-03-18	../uploads/cif-deposit/cod/cif Adding structures of 4319113 via cif-deposit CGI script.	4319113.cif