Crystallography Open Database

Information card for entry 4131021

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Coordinates	4131021.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C416 H440 Ag20 Cu7 F18 O8 P15
Calculated formula	C416 H380 Ag20 Cu7 F18 O8 P15
Title of publication	Assembly of Heterometallic Silver(I)-Copper(I) Alkyl-1,3-diynyl Clusters via Inner-Core Expansion.
Authors of publication	Hau, Sam C. K.; Yeung, Margaret C.-L.; Yam, Vivian W.-W.; Mak, Thomas C. W.
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	41
Pages of publication	13732 - 13739
a	19.3944 ± 0.0014 Å
b	19.4536 ± 0.0013 Å
c	29.451 ± 0.002 Å
α	78.671 ± 0.001°
β	71.197 ± 0.002°
γ	75.615 ± 0.001°
Cell volume	10106.4 ± 1.2 Å³
Cell temperature	173 K
Ambient diffraction temperature	173.15 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	0.1053
Residual factor for significantly intense reflections	0.078
Weighted residual factors for significantly intense reflections	0.2047
Weighted residual factors for all reflections included in the refinement	0.239
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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