Crystallography Open Database

Information card for entry 4112634

Preview

Coordinates	4112634.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66.5 H118 K3 N8.5 O18 Si9
Calculated formula	C66.5 H118 K3 N8.5 O18 Si9
Title of publication	Naked Deltahedral Silicon Clusters in Solution: Synthesis and Characterization of Si93- and Si52-
Authors of publication	Jose M. Goicoechea; Slavi C. Sevov
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	6860 - 6861
a	13.6394 ± 0.0011 Å
b	14.8506 ± 0.0011 Å
c	22.7034 ± 0.0018 Å
α	86.614 ± 0.004°
β	79.222 ± 0.003°
γ	79.168 ± 0.003°
Cell volume	4435.7 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1315
Residual factor for significantly intense reflections	0.0653
Weighted residual factors for significantly intense reflections	0.135
Weighted residual factors for all reflections included in the refinement	0.1511
Goodness-of-fit parameter for all reflections included in the refinement	0.83
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4112634.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112634.cif
65043	2012-09-04	cif/ Adding structures of 4112634 via cif-deposit CGI script.	4112634.cif