Crystallography Open Database

Information card for entry 7122557

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Coordinates	7122557.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H36 N6 Zn
Calculated formula	C56 H36 N6 Zn
Title of publication	Synthesis and reactivity of aza-dipyrrin alkali metal salts.
Authors of publication	Diaz-Rodriguez, Roberto M; Robertson, Katherine N.; Thompson, Alison
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	93
Pages of publication	13139 - 13142
a	23.287 ± 0.004 Å
b	11.257 ± 0.002 Å
c	16.403 ± 0.003 Å
α	90°
β	108.675 ± 0.002°
γ	90°
Cell volume	4073.5 ± 1.3 Å³
Cell temperature	125 ± 2 K
Ambient diffraction temperature	125 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1263
Residual factor for significantly intense reflections	0.0558
Weighted residual factors for significantly intense reflections	0.0958
Weighted residual factors for all reflections included in the refinement	0.1172
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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