Crystallography Open Database

Information card for entry 7247362

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Coordinates	7247362.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H39 Cd3 N3 O15
Calculated formula	C39 H39 Cd3 N3 O15
Title of publication	Spontaneous resolution of two chiral metal–organic frameworks through local geometric and lattice frustration effects
Authors of publication	Windsor, Hunter J.; Kepert, Cameron J.; Macreadie, Lauren K.
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	38
Pages of publication	5428 - 5435
a	9.5668 ± 0.0003 Å
b	23.3692 ± 0.0006 Å
c	17.0992 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	3822.84 ± 0.17 Å³
Cell temperature	150.01 ± 0.1 K
Ambient diffraction temperature	150.15 K
Number of distinct elements	5
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0724
Residual factor for significantly intense reflections	0.0517
Weighted residual factors for significantly intense reflections	0.1182
Weighted residual factors for all reflections included in the refinement	0.1266
Goodness-of-fit parameter for all reflections included in the refinement	0.961
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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