Crystallography Open Database

Information card for entry 7130647

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Coordinates	7130647.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C95.5 H106 Cl19 N8 O14 Zn2
Calculated formula	C86 H87 N8 O14 Zn2
Title of publication	Nitroxyl radical-containing flexible porous coordination polymer for controllable size-aelective aerobic oxidation of alcohols.
Authors of publication	Wang, Ping; Xue, Ziqian; Ken-Ichi, Otake; Kitagawa, Susumu
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2022
Journal volume	58
Journal issue	64
Pages of publication	9026 - 9029
a	26.173 ± 0.013 Å
b	28.219 ± 0.014 Å
c	35.844 ± 0.018 Å
α	90°
β	104.199 ± 0.007°
γ	90°
Cell volume	25665 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.1483
Residual factor for significantly intense reflections	0.1146
Weighted residual factors for significantly intense reflections	0.3275
Weighted residual factors for all reflections included in the refinement	0.3471
Goodness-of-fit parameter for all reflections included in the refinement	1.141
Diffraction radiation wavelength	0.4125 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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