Crystallography Open Database

Information card for entry 4321828

Preview

Coordinates	4321828.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H40 B F4 Ir O6
Calculated formula	C27 B F4 Ir O6
Title of publication	Unusual Me-O Bond Cleavage in a Metalated Crown-Ether: X-ray Molecular Structure of (5-Methoxy-4,6-dimethyl-1,3-xylylene-2-one)-15 Crown-4 Complex of Pentamethylcyclopentadienyl Iridium
Authors of publication	H. Amouri; J. Vaissermann; M. N. Rager; Y. Besace
Journal of publication	Inorganic Chemistry
Year of publication	1999
Journal volume	38
Pages of publication	1211 - 1215
a	8.187 ± 0.005 Å
b	17.193 ± 0.004 Å
c	10.9 ± 0.003 Å
α	90°
β	109.68 ± 0.04°
γ	90°
Cell volume	1444.7 ± 1.1 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	6
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for significantly intense reflections	0.0356
Weighted residual factors for significantly intense reflections	0.0433
Goodness-of-fit parameter for significantly intense reflections	3.8
Diffraction radiation wavelength	0.71069 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.	4321828.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4321828.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4321828.cif
19639	2011-05-22	../uploads/cif-deposit/cod/cif Adding structures of 4321828 via cif-deposit CGI script.	4321828.cif