Crystallography Open Database

Information card for entry 7133250

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Coordinates	7133250.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9.5 H19 Cu2 N O10 P S
Calculated formula	C9.5 H19 Cu2 N O10 P S
Title of publication	Cu<sub>12</sub>-cluster-based metal-organic framework as a metastable intermediate in the formation of a layered copper phosphonate.
Authors of publication	Teng, Qian; Gao, Ran; Bao, Song-Song; Zheng, Li-Min
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	60
Pages of publication	7765 - 7768
a	7.0932 ± 0.0003 Å
b	7.3733 ± 0.0004 Å
c	31.2935 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	1636.66 ± 0.14 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.025
Residual factor for significantly intense reflections	0.023
Weighted residual factors for significantly intense reflections	0.0596
Weighted residual factors for all reflections included in the refinement	0.0611
Goodness-of-fit parameter for all reflections included in the refinement	1.079
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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