Crystallography Open Database

Information card for entry 7716263

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Coordinates	7716263.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H38 Cu3 N9 O11 S
Calculated formula	C31 H38 Cu3 N9 O11 S
Title of publication	Utilization of a trinuclear Cu-pyrazolate inorganic motif to build multifunctional MOFs.
Authors of publication	Saha, Sayan; Akhtar, Sohel; Pramanik, Subhendu; Bala, Sukhen; Mondal, Raju
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	26
Pages of publication	11021 - 11037
a	9.221 ± 0.002 Å
b	12.471 ± 0.004 Å
c	17.304 ± 0.005 Å
α	77.215 ± 0.008°
β	88.784 ± 0.007°
γ	78.935 ± 0.008°
Cell volume	1904 ± 0.9 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 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	0.1674
Residual factor for significantly intense reflections	0.088
Weighted residual factors for significantly intense reflections	0.1754
Weighted residual factors for all reflections included in the refinement	0.1998
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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