Crystallography Open Database

Information card for entry 7003598

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Coordinates	7003598.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H48 Cu4 F8 Mo12 N24 O44 Si
Calculated formula	C52 H48 Cu4 F8 Mo12 N24 O44 Si
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	20.686 ± 0.0012 Å
b	11.643 ± 0.0007 Å
c	20.787 ± 0.0012 Å
α	90°
β	116.222 ± 0.001°
γ	90°
Cell volume	4491.3 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1049
Residual factor for significantly intense reflections	0.0637
Weighted residual factors for significantly intense reflections	0.1577
Weighted residual factors for all reflections included in the refinement	0.1826
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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