Crystallography Open Database

Information card for entry 4317078

Preview

Coordinates	4317078.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36.4 H46.3 Cl0.8 F3 Ir O4.5 P2 S Si
Calculated formula	C36.4 H42 Cl0.8 F3 Ir O4.5 P2 S Si
Title of publication	Addition of Water Across Si-Ir Bonds in Iridium Complexes with κ-P,P,Si(biPSi) Pincer Ligands
Authors of publication	Alba García-Camprubí; Marta Martín; Eduardo Sola
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	10649 - 10657
a	8.8088 ± 0.0012 Å
b	12.3483 ± 0.0017 Å
c	18.596 ± 0.003 Å
α	81.914 ± 0.002°
β	80.057 ± 0.002°
γ	87.371 ± 0.002°
Cell volume	1972.1 ± 0.5 Å³
Cell temperature	100 ± 0.2 K
Ambient diffraction temperature	100 ± 0.2 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0746
Residual factor for significantly intense reflections	0.0538
Weighted residual factors for significantly intense reflections	0.0984
Weighted residual factors for all reflections included in the refinement	0.105
Goodness-of-fit parameter for all reflections included in the refinement	0.965
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
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.	4317078.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4317078.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4317078.cif
10590	2011-02-11	../uploads/cif-deposit/cod/cif Adding structures of 4317078 via cif-deposit CGI script.	4317078.cif