Crystallography Open Database

Information card for entry 7003593

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Coordinates	7003593.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H54 Cu2 F8 N24 O47 Si W12
Calculated formula	C52 H48 Cu2 F8 N24 O47 Si W12
Title of publication	Inorganic‒organic hybrid materials with different dimensions constructed from copper‒fluconazole metal‒organic units and Keggin polyanion clusters
Authors of publication	Li, Shun-Li; Lan, Ya-Qian; Ma, Jian-Fang; Yang, Jin; Liu, Jie; Fu, Yao-Mei; Su, Zhong-Min
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	15
Pages of publication	2015 - 2025
a	17.293 ± 0.0009 Å
b	15.019 ± 0.0011 Å
c	18.193 ± 0.0011 Å
α	90°
β	92.285 ± 0.001°
γ	90°
Cell volume	4721.4 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.0865
Residual factor for significantly intense reflections	0.0508
Weighted residual factors for significantly intense reflections	0.1135
Weighted residual factors for all reflections included in the refinement	0.1294
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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