Crystallography Open Database

Information card for entry 4076344

Preview

Coordinates	4076344.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51.5 H43.5 Au Cl N4 P2
Calculated formula	C51.5 H43.5 Au Cl N4 P2
Title of publication	Construction of Rhodium(I) and Gold(I) Macrocycles by Transferring a Phosphine-Functionalized 4,5-Diazafluorenide Ligand from Its Copper(I) N-Heterocyclic Carbene Complex
Authors of publication	Tan, Runyu; Chiu, Frederick Sin Nang; Hadzovic, Alen; Song, Datong
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	6
Pages of publication	2184
a	26.8211 ± 0.0009 Å
b	18.0574 ± 0.0008 Å
c	21.79 ± 0.001 Å
α	90°
β	106.575 ± 0.002°
γ	90°
Cell volume	10114.8 ± 0.7 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0931
Residual factor for significantly intense reflections	0.0483
Weighted residual factors for significantly intense reflections	0.1044
Weighted residual factors for all reflections included in the refinement	0.1153
Goodness-of-fit parameter for all reflections included in the refinement	0.957
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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