Crystallography Open Database

Information card for entry 4107577

Preview

Coordinates	4107577.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H100 O Si4 Y4
Calculated formula	C52 H100 O Si4 Y4
Title of publication	Neutron Diffraction Studies on a 4-Coordinate Hydrogen Atom in an Yttrium Cluster
Authors of publication	Muhammed Yousufuddin; Matthias J. Gutmann; Jens Baldamus; Olivier Tardif; Zhaomin Hou; Sax A. Mason; Garry J. McIntyre; Robert Bau
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	3888 - 3891
a	13.009 ± 0.002 Å
b	13.146 ± 0.002 Å
c	19.688 ± 0.004 Å
α	80.526 ± 0.003°
β	86.782 ± 0.003°
γ	74.29 ± 0.002°
Cell volume	3196.7 ± 0.9 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1534
Residual factor for significantly intense reflections	0.1094
Weighted residual factors for significantly intense reflections	0.2347
Weighted residual factors for all reflections included in the refinement	0.2501
Goodness-of-fit parameter for all reflections included in the refinement	1.494
Diffraction radiation probe	neutron
Diffraction radiation type	white-beam
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178821 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/75.	4107577.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4107577.cif
106542	2014-03-15	cod/ (saulius@kolibris) Manually fixing _diffrn_radiation_probe for 13 COD CIFs.	4107577.cif
55263	2012-05-04	cif/ Adding structures of 4107577 via cif-deposit CGI script.	4107577.cif