Crystallography Open Database

Information card for entry 4066471

Preview

Coordinates	4066471.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H39 As
Calculated formula	C27 H39 As
SMILES	[As](C1C(=C(C(=C1C)C)C)C)(C1C(=C(C(=C1C)C)C)C)C1C(=C(C(=C1C)C)C)C
Title of publication	Influence of Ring Methylation in Group 15 Tetramethylcyclopentadienyl Complexes, M(C5Me4H)nI3−n(M = As, Sb)†
Authors of publication	Chmely, Stephen C.; Hanusa, Timothy P.; Rheingold, Arnold L.
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	21
Pages of publication	5551
a	10.5768 ± 0.0009 Å
b	10.995 ± 0.001 Å
c	11.1954 ± 0.001 Å
α	90.824 ± 0.001°
β	106.305 ± 0.001°
γ	110.27 ± 0.001°
Cell volume	1163.14 ± 0.18 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0387
Residual factor for significantly intense reflections	0.0332
Weighted residual factors for significantly intense reflections	0.0877
Weighted residual factors for all reflections included in the refinement	0.091
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
178556 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/64.	4066471.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4066471.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4066471.cif
33903	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4066471, 4066472, 4066473 via cif-deposit CGI script.	4066471.cif