Crystallography Open Database

Information card for entry 7133260

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Coordinates	7133260.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H36 N2 O6 Zn
Calculated formula	C48 H36 N2 O6 Zn
Title of publication	Polymorph driven diversification of photosalient responses in a zinc(II) coordination complex.
Authors of publication	Pham-Tran, Victoria N P; Moffat, James G. D.; Marczenko, Katherine M.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	61
Pages of publication	7890 - 7893
a	7.8902 ± 0.0001 Å
b	23.5724 ± 0.0004 Å
c	20.3308 ± 0.0004 Å
α	90°
β	92.206 ± 0.002°
γ	90°
Cell volume	3778.54 ± 0.11 Å³
Cell temperature	114.98 ± 0.15 K
Ambient diffraction temperature	115.15 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0664
Residual factor for significantly intense reflections	0.0463
Weighted residual factors for significantly intense reflections	0.0816
Weighted residual factors for all reflections included in the refinement	0.0871
Goodness-of-fit parameter for all reflections included in the refinement	1.0696
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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