Crystallography Open Database

Information card for entry 4106481

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Coordinates	4106481.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H74 Cl4 Ir2 N2 O2 Si2
Calculated formula	C46 H74 Cl4 Ir2 N2 O2 Si2
Title of publication	Stepwise Formation of a Molecular Square with Bridging NH,O-Substituted Dicarbene Building Blocks
Authors of publication	Fabian M. Conrady; Roland Fröhlich; Christian Schulte to Brinke; Tania Pape; F. Ekkehardt Hahn
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	11496 - 11499
a	13.0461 ± 0.0012 Å
b	14.4131 ± 0.0013 Å
c	14.9493 ± 0.0014 Å
α	108.111 ± 0.001°
β	98.045 ± 0.001°
γ	94.205 ± 0.001°
Cell volume	2625 ± 0.4 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0655
Residual factor for significantly intense reflections	0.0339
Weighted residual factors for significantly intense reflections	0.0702
Weighted residual factors for all reflections included in the refinement	0.0808
Goodness-of-fit parameter for all reflections included in the refinement	0.969
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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