Crystallography Open Database

Information card for entry 2020851

2020850 << 2020851 >> 2020852

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Structure parameters

Chemical name	Bis(μ-4-oxo-2-phenyl-4<i>H</i>-chromen-3-olato)-κ^3^<i>O</i>^3^:<i>O</i>^3^,<i>O</i>^4^;κ^3^<i>O</i>^3^,<i>O</i>^4^:<i>O</i>^3^-bis[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')zinc(II)] bis(perchlorate)
Formula	C50 H34 Cl2 N4 O14 Zn2
Calculated formula	C50 H34 Cl2 N4 O14 Zn2
Title of publication	A bipyridine-ligated zinc(II) complex with bridging flavonolate ligation: synthesis, characterization, and visible-light-induced CO release reactivity
Authors of publication	Sorenson, Shayne; Popova, Marina; Arif, Atta M.; Berreau, Lisa M.
Journal of publication	Acta Crystallographica Section C
Year of publication	2017
Journal volume	73
Journal issue	9
a	10.6003 ± 0.0002 Å
b	14.0573 ± 0.0003 Å
c	15.8141 ± 0.0002 Å
α	90°
β	104.016 ± 0.001°
γ	90°
Cell volume	2286.33 ± 0.07 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0478
Residual factor for significantly intense reflections	0.0372
Weighted residual factors for significantly intense reflections	0.0878
Weighted residual factors for all reflections included in the refinement	0.0933
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
301801 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 2/02 Each referenced PubChem compound corresponds to the full crystal structure.	2020851.cif 2020851.hkl
199768	2017-08-15	cif/ hkl/ Adding structures of 2020851 via cif-deposit CGI script.	2020851.cif 2020851.hkl