Crystallography Open Database

Information card for entry 7243957

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Coordinates	7243957.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H32 N3.33 O6.67 Zn
Calculated formula	C21 H20 N2 O4 Zn
Title of publication	Fecht's acid revisited: a spirocyclic dicarboxylate for non-aromatic MOFs
Authors of publication	Slyusarchuk, Valentyna D.; Hawes, Chris S.
Journal of publication	CrystEngComm
Year of publication	2022
Journal volume	24
Journal issue	3
Pages of publication	484 - 490
a	11.3429 ± 0.001 Å
b	12.4311 ± 0.001 Å
c	18.5115 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	2610.2 ± 0.4 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	52
Hermann-Mauguin space group symbol	P n n a
Hall space group symbol	-P 2a 2bc
Residual factor for all reflections	0.0758
Residual factor for significantly intense reflections	0.0501
Weighted residual factors for significantly intense reflections	0.1293
Weighted residual factors for all reflections included in the refinement	0.1502
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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