Crystallography Open Database

Information card for entry 7056983

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Structure parameters

Formula	C54 H68 F24 N16 P4
Calculated formula	C54 H68 F24 N16 P4
SMILES	c1n2c3ccccc3[n+]1CCCn1c[n+](CCNCCn3c[n+](c4c3cccc4)CCCn3c[n+](c4c3cccc4)CCNCC2)c2c1cccc2.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC.N#CC.N#CC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC.N#CC.N#CC
Title of publication	Synthesis and characterization of Ag(i) and Au(i) complexes with macrocyclic hybrid amine N-heterocyclic carbene ligands
Authors of publication	Lu, Taotao; Yang, Chu-Fan; Steren, Carlos A.; Fei, Fan; Chen, Xue-Tai; Xue, Zi-Ling
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	6
Pages of publication	4700
a	12.3 ± 0.003 Å
b	12.549 ± 0.003 Å
c	12.557 ± 0.003 Å
α	101.682 ± 0.004°
β	105.479 ± 0.004°
γ	107.42 ± 0.004°
Cell volume	1696.1 ± 0.7 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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	0.0865
Residual factor for significantly intense reflections	0.0526
Weighted residual factors for significantly intense reflections	0.1418
Weighted residual factors for all reflections included in the refinement	0.1594
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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