Crystallography Open Database

Information card for entry 7720336

7720335 << 7720336 >> 7720337

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Coordinates	7720336.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H74 Au2 Br2 N4
Calculated formula	C84 H74 Au2 Br2 N4
Title of publication	IPr*BndiNHC – Sterically-Adaptable Benzyl-Linked Dinuclear N-Heterocyclic Carbenes
Authors of publication	Halikowska-Tarasek, Katarzyna; Dziuk, Błażej; Szostak, Roman; Szostak, Michal; Bisz, Elwira
Journal of publication	Dalton Transactions
Year of publication	2026
a	11.07145 ± 0.00016 Å
b	20.303 ± 0.0002 Å
c	23.5096 ± 0.0002 Å
α	110.36 ± 0.0009°
β	100.723 ± 0.001°
γ	102.875 ± 0.0011°
Cell volume	4624.63 ± 0.11 Å³
Cell temperature	99.99 ± 0.1 K
Ambient diffraction temperature	99.99 ± 0.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0637
Residual factor for significantly intense reflections	0.0596
Weighted residual factors for significantly intense reflections	0.1673
Weighted residual factors for all reflections included in the refinement	0.1699
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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