Crystallography Open Database

Information card for entry 1570155

Preview

Coordinates	1570155.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	[(1,2,5,6-η)-Cycloocta-1,5-diene](1-ethyl-4-isopropyl-1,2,4-triazol-5-ylidene)(triphenylphosphane)iridium(I) tetrafluoridoborate dichloromethane sesquisolvate
Formula	C34.5 H43 B Cl3 F4 Ir N3 P
Calculated formula	C34.5 H43 B Cl3 F4 Ir N3 P
Title of publication	[(1,2,5,6-η)-Cycloocta-1,5-diene](1-ethyl-4-isopropyl-1,2,4-triazol-5-ylidene)(triphenylphosphane)iridium(I) tetrafluoridoborate dichloromethane sesquisolvate
Authors of publication	Maynard, Aaron; Gau, Michael; Albert, Daniel R.; Rajaseelan, Edward
Journal of publication	IUCrData
Year of publication	2023
Journal volume	8
Journal issue	10
Pages of publication	x230903
a	10.8268 ± 0.0002 Å
b	12.5379 ± 0.0002 Å
c	14.0896 ± 0.0002 Å
α	87.421 ± 0.001°
β	86.988 ± 0.001°
γ	77.089 ± 0.002°
Cell volume	1860.58 ± 0.05 Å³
Cell temperature	100 K
Ambient diffraction temperature	99.96 ± 0.14 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0275
Residual factor for significantly intense reflections	0.0244
Weighted residual factors for significantly intense reflections	0.0585
Weighted residual factors for all reflections included in the refinement	0.0593
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	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
300370 (current)	2025-07-05	Updating bibliography information from the data sent by Robert McMeeking. cod/ (saulius@pterodaktilis)	1570155.cif
287052	2023-10-20	cif/ Adding structures of 1570155 via cif-deposit CGI script.	1570155.cif