Crystallography Open Database

Information card for entry 7710158

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Coordinates	7710158.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C97 H112 Au2 Cl12 N4 P2
Calculated formula	C92 H102 Au2 Cl2 N4 P2
Title of publication	Crystalline phosphino-functionalized mesoionic olefins (p-MIOs)
Authors of publication	Merschel, Arne; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Georg; Ghadwal, Rajendra S.
Journal of publication	Dalton Transactions
Year of publication	2022
a	12.5519 ± 0.0002 Å
b	13.5059 ± 0.0003 Å
c	17.4784 ± 0.0003 Å
α	95.2343 ± 0.0015°
β	105.46 ± 0.0015°
γ	90.6853 ± 0.0015°
Cell volume	2841.87 ± 0.09 Å³
Cell temperature	99.97 ± 0.13 K
Ambient diffraction temperature	99.97 ± 0.13 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0512
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.1183
Weighted residual factors for all reflections included in the refinement	0.1228
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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