Crystallography Open Database

Information card for entry 4111952

4111951 << 4111952 >> 4111953

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Coordinates	4111952.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H54 N8 O24 P4 Zn3
Calculated formula	C28 H52 N8 O24 P4 Zn3
Title of publication	Discrete Water Hexamers and Template-Assisted Molecular Recognition in an Elastic Zincophosphate Lattice
Authors of publication	Yueh-Chun Liao; Yao-Chen Jiang; Sue-Lein Wang
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Pages of publication	12794 - 12795
a	15.0239 ± 0.0009 Å
b	8.5826 ± 0.0005 Å
c	36.299 ± 0.002 Å
α	90°
β	100.684 ± 0.001°
γ	90°
Cell volume	4599.4 ± 0.5 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0556
Residual factor for significantly intense reflections	0.049
Weighted residual factors for significantly intense reflections	0.1221
Weighted residual factors for all reflections included in the refinement	0.1248
Goodness-of-fit parameter for all reflections included in the refinement	1.286
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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