Crystallography Open Database

Information card for entry 4317399

Preview

Coordinates	4317399.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H56 I2 O7 Se9 Yb4
Calculated formula	C28 H56 I2 O7 Se9 Yb4
SMILES	[Yb]1234([Se]56[Yb]78(I)([Se]1[Se]27)([Se]1[Yb]25([Se]81)([Se]1[Yb]56(I)([Se]21)([Se]3[Se]45)[O]1CCCC1)([O]1CCCC1)[O]1CCCC1)[O]1CCCC1)([O]1CCCC1)[O]1CCCC1.O1CCCC1
Title of publication	Chalcogen Rich Lanthanide Clusters from Halide Starting Materials (II): Selenido Compounds
Authors of publication	Anna Kornienko; J. H. Melman; G. Hall; T. J. Emge; John G. Brennan
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	121 - 126
a	19.973 ± 0.005 Å
b	13.052 ± 0.004 Å
c	38.85 ± 0.02 Å
α	90 ± 0.04°
β	90.59 ± 0.03°
γ	90 ± 0.02°
Cell volume	10127 ± 7 Å³
Cell temperature	183 ± 5 K
Ambient diffraction temperature	183 ± 5 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1413
Residual factor for significantly intense reflections	0.0648
Weighted residual factors for significantly intense reflections	0.1033
Weighted residual factors for all reflections included in the refinement	0.1141
Goodness-of-fit parameter for all reflections included in the refinement	1.007
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
179253 (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 4/31/73.	4317399.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4317399.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4317399.cif
11878	2011-03-04	../uploads/cif-deposit/cod/cif Adding structures of 4317399 via cif-deposit CGI script.	4317399.cif