Crystallography Open Database

Information card for entry 7118798

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Coordinates	7118798.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H48 Au3 F18 N12 O P3
Calculated formula	C45 H48 Au3 F18 N12 O P3
Title of publication	Homoleptic gold(i) N-heterocyclic allenylidene complexes: excited-state properties and lyotropic chromonics.
Authors of publication	Xiao, Xin-Shan; Zou, Chao; Guan, Xiangguo; Yang, Chen; Lu, Wei; Che, Chi-Ming
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	28
Pages of publication	4983 - 4986
a	11.7938 ± 0.0002 Å
b	13.6822 ± 0.0002 Å
c	20.7195 ± 0.0014 Å
α	76.314 ± 0.005°
β	74.412 ± 0.005°
γ	83.443 ± 0.006°
Cell volume	3124.4 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293.15 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	0.059
Residual factor for significantly intense reflections	0.05
Weighted residual factors for significantly intense reflections	0.1283
Weighted residual factors for all reflections included in the refinement	0.1467
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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