Crystallography Open Database

Information card for entry 4332286

Preview

Coordinates	4332286.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H24 B Ir N6 O3
Calculated formula	C17 H24 B Ir N6 O3
Title of publication	Formation and Reactivity of Ir(III) Hydroxycarbonyl Complexes
Authors of publication	Elliott, Paul I. P.; Haslam, Claire E.; Spey, Sharon E.; Haynes, Anthony
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	16
Pages of publication	6269 - 6275
a	14.0586 ± 0.0019 Å
b	7.8792 ± 0.0011 Å
c	20.815 ± 0.003 Å
α	90°
β	108.028 ± 0.002°
γ	90°
Cell volume	2192.5 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0723
Residual factor for significantly intense reflections	0.0491
Weighted residual factors for significantly intense reflections	0.1099
Weighted residual factors for all reflections included in the refinement	0.1281
Goodness-of-fit parameter for all reflections included in the refinement	1.086
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179425 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/22.	4332286.cif
98210	2014-01-29	cif/ Adding structures of 4332286 via cif-deposit CGI script.	4332286.cif