Crystallography Open Database

Information card for entry 7249075

Preview

Coordinates	7249075.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C120 H60 Cu9 N40 O22
Calculated formula	C120 H60 Cu9 N40 O21.998
Title of publication	Enhanced organic dye adsorption and photocatalytic activity through a metal–organic framework featuring heptanuclear/binuclear clusters and cage cavities
Authors of publication	Chen, Xi; Chen, Zi-tong; Zhu, Feng; Chen, Yuan; Liu, Ao-gang; Yin, Xue; Chen, Zi-ke; Li, Bao
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	33
Pages of publication	4489 - 4497
a	29.618 ± 0.002 Å
b	15.2128 ± 0.0013 Å
c	24.2347 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	10919.5 ± 1.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	58
Hermann-Mauguin space group symbol	P n n m
Hall space group symbol	-P 2 2n
Residual factor for all reflections	0.1321
Residual factor for significantly intense reflections	0.0952
Weighted residual factors for significantly intense reflections	0.2646
Weighted residual factors for all reflections included in the refinement	0.3274
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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