Crystallography Open Database

Information card for entry 7133258

Preview

Coordinates	7133258.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	7.8927 ± 0.0003 Å
b	23.5873 ± 0.0007 Å
c	20.5265 ± 0.0006 Å
α	90°
β	91.988 ± 0.003°
γ	90°
Cell volume	3819.1 ± 0.2 Å³
Cell temperature	293.1 ± 0.5 K
Ambient diffraction temperature	293.1 ± 0.5 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	0.0678
Residual factor for significantly intense reflections	0.046
Weighted residual factors for significantly intense reflections	0.0854
Weighted residual factors for all reflections included in the refinement	0.0916
Goodness-of-fit parameter for all reflections included in the refinement	1.083
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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