Crystallography Open Database

Information card for entry 4071500

Preview

Coordinates	4071500.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H22 B F10 Ir
Calculated formula	C28 H22 B F10 Ir
SMILES	[IrH]1234567([c]89[cH]1[cH]2[cH]3[c]48[B](CCC9)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)[CH]1=[CH]5CC[CH]6=[CH]7CC1
Title of publication	Chemical Behavior of a Pair of (COD)CpRh and −Ir Complexes with Pendant Peripheral −B(C6F5)2Groups†
Authors of publication	Herrmann, Christoph; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	10
Pages of publication	2328
a	11.8637 ± 0.0002 Å
b	13.7856 ± 0.0002 Å
c	16.3812 ± 0.0004 Å
α	105.611 ± 0.001°
β	90.657 ± 0.001°
γ	108.065 ± 0.001°
Cell volume	2439.88 ± 0.08 Å³
Cell temperature	198 ± 2 K
Ambient diffraction temperature	198 ± 2 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	0.0648
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for significantly intense reflections	0.0849
Weighted residual factors for all reflections included in the refinement	0.0938
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
178604 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/15.	4071500.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071500.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071500.cif
43871	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4071500 via cif-deposit CGI script.	4071500.cif