Crystallography Open Database

Information card for entry 4108433

Preview

Coordinates	4108433.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	VM-565-90-1
Formula	C34 H50 Cl2 Ir N2 O2 P
Calculated formula	C34 H50 Cl2 Ir N2 O2 P
Title of publication	Imidazol-2-yl Complexes of Cp*Ir as Bifunctional Ambident Reactants
Authors of publication	Valentín Miranda-Soto; Douglas B. Grotjahn; Antonio G. DiPasquale; Arnold L. Rheingold
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	13200 - 13201
a	13.0871 ± 0.001 Å
b	15.2737 ± 0.0011 Å
c	17.7536 ± 0.0013 Å
α	90°
β	104.463 ± 0.001°
γ	90°
Cell volume	3436.3 ± 0.4 Å³
Cell temperature	208 ± 2 K
Ambient diffraction temperature	208 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0245
Residual factor for significantly intense reflections	0.021
Weighted residual factors for significantly intense reflections	0.0498
Weighted residual factors for all reflections included in the refinement	0.0516
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
204147 (current)	2017-12-11	cif/ Correcting the '_space_group.centring_type' data item enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5887.	4108433.cif
178830	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/84.	4108433.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4108433.cif
56787	2012-05-15	cif/ Adding structures of 4108433 via cif-deposit CGI script.	4108433.cif