Crystallography Open Database

Information card for entry 5000297

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Original paper (by DOI)	HTML

Structure parameters

Common name	MSC01007
Formula	C48 H50 B2 F8 N4
Calculated formula	C48 H50 B2 F8 N4
Title of publication	Macrocyclic Metalloenediynes of Cu(II) and Zn(II): A Thermal Reactivity Comparison
Authors of publication	Tilak Chandra; Maren Pink; Jeffrey M. Zaleski
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	5878 - 5885
a	9.0324 ± 0.0007 Å
b	10.5874 ± 0.0008 Å
c	12.5495 ± 0.001 Å
α	93.64 ± 0.002°
β	106.299 ± 0.002°
γ	110.788 ± 0.002°
Cell volume	1058.95 ± 0.14 Å³
Cell temperature	115 ± 2 K
Ambient diffraction temperature	115 ± 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	0.0915
Residual factor for significantly intense reflections	0.0469
Weighted residual factors for significantly intense reflections	0.1044
Weighted residual factors for all reflections included in the refinement	0.1229
Goodness-of-fit parameter for all reflections included in the refinement	0.972
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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