Crystallography Open Database

Information card for entry 7241993

7241992 << 7241993 >> 7241994

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Coordinates	7241993.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H18 Cu2 N2 O7 S
Calculated formula	C26 H18 Cu2 N2 O7 S
Title of publication	Uncommon thioether-modified metal‒organic frameworks with unique selective CO2 sorption and efficient catalytic conversion
Authors of publication	Wang, Wen-Juan; Liu, Jiao; Yan, Yang-Tian; Yang, Xiao-Li; Zhang, Wen-Yan; Yang, Guo-Ping; Wang, Yao-Yu
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	6
Pages of publication	1447 - 1454
a	10.7683 ± 0.0013 Å
b	12.9615 ± 0.0015 Å
c	13.7053 ± 0.0016 Å
α	75.796 ± 0.003°
β	69.498 ± 0.004°
γ	67.431 ± 0.003°
Cell volume	1640.8 ± 0.3 Å³
Cell temperature	150.15 K
Ambient diffraction temperature	150.15 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0403
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.104
Weighted residual factors for all reflections included in the refinement	0.1066
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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