Crystallography Open Database

Information card for entry 4318515

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Structure parameters

Formula	C33 H26 N2 O2
Calculated formula	C33 H26 N2 O2
SMILES	C1(=CC(=CC\1=C(c1ccc(cc1)C#N)\O)C1(c2ccccc2)CCCCC1)C(=O)c1ccc(cc1)C#N
Title of publication	[Ag2(C33H26N2O2)(H2O)2(SO3CF3)2].0.5C6H6: A Luminescent Supramolecular Silver(I) Complex Based on Metal-Carbon and Metal-Heteroatom Interactions
Authors of publication	Yu-Bin Dong; Guo-Xia Jin; Mark D. Smith; Ru-Qi Huang; Bo Tang; Hans-Conrad zur Loye
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	4909 - 4914
a	7.0419 ± 0.0005 Å
b	11.936 ± 0.0008 Å
c	15.647 ± 0.0011 Å
α	85.144 ± 0.001°
β	78.114 ± 0.001°
γ	74.536 ± 0.001°
Cell volume	1239.76 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0575
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.1026
Weighted residual factors for all reflections included in the refinement	0.1093
Goodness-of-fit parameter for all reflections included in the refinement	0.971
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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